![0U9 0U9](https://data.pdbj.org/pdbjplus/data/cc/svg/0U9.svg) | 0U9 | Name: | S-bicalutamide | Formula: | C18 H14 F4 N2 O4 S | SMILES: | Fc1ccc(cc1)S(=O)(=O)CC(O)(C(=O)Nc2cc(c(C#N)cc2)C(F)(F)F)C | InChi: | InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m1/s1 | Synonyms: | (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide | Definition date: | 2012-06-15 | Last modified: | 2021-03-01 | Release date: | 2013-01-04 | Identifier: | (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide |
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![HQY HQY](https://data.pdbj.org/pdbjplus/data/cc/svg/HQY.svg) | HQY | Name: | quinolin-8-ol | Formula: | C9 H7 N O | SMILES: | Oc1cccc2cccnc12 | InChi: | InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H | Synonyms: | 8-hydroxyquinoline | Definition date: | 2009-10-28 | Last modified: | 2021-03-01 | Identifier: | quinolin-8-ol |
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![7ZR 7ZR](https://data.pdbj.org/pdbjplus/data/cc/svg/7ZR.svg) | 7ZR | Name: | 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide | Formula: | C17 H15 N3 O6 S2 | SMILES: | COc1ccc(cc1OC)[S](=O)(=O)Nc2scc(n2)c3cccc(c3)[N+]([O-])=O | InChi: | InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19) | Synonyms: | Ro 61-8048 | Definition date: | 2017-02-23 | Last modified: | 2021-03-01 | Release date: | 2017-12-27 | Identifier: | 3,4-dimethoxy-~{N}-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide |
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![HRO HRO](https://data.pdbj.org/pdbjplus/data/cc/svg/HRO.svg) | HRO | Name: | 5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | Formula: | C5 H3 Cl N2 O4 | SMILES: | O=C1NC(C(=O)O)=C(Cl)C(=O)N1 | InChi: | InChI=1S/C5H3ClN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12) | Synonyms: | 5-Chloroorotic acid | Definition date: | 2012-11-19 | Last modified: | 2021-03-01 | Release date: | 2013-11-20 | Identifier: | 5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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![801 801](https://data.pdbj.org/pdbjplus/data/cc/svg/801.svg) | 801 | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE | Formula: | C13 H11 N5 O | SMILES: | [O-]c3cccnc3c2nc1cc(ccc1n2)C(=[NH2+])N | InChi: | InChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18) | Synonyms: | CRA_1801 | Definition date: | 2003-03-14 | Last modified: | 2021-03-01 | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}pyridin-3-olate |
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![802 802](https://data.pdbj.org/pdbjplus/data/cc/svg/802.svg) | 802 | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-FLUOROBENZENOLATE | Formula: | C14 H11 F N4 O | SMILES: | Fc3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])cc3 | InChi: | InChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19) | Synonyms: | CRA_1802 | Definition date: | 2003-03-14 | Last modified: | 2021-03-01 | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-fluorophenolate |
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![HS3 HS3](https://data.pdbj.org/pdbjplus/data/cc/svg/HS3.svg) | HS3 | Name: | (2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide | Formula: | C10 H12 N2 O6 S | SMILES: | O=NC(=O)C(NS(=O)(=O)c1ccc(OC)cc1)CO | InChi: | InChI=1S/C10H12N2O6S/c1-18-7-2-4-8(5-3-7)19(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13H,6H2,1H3/t9-/m1/s1 | Synonyms: | (R)-N-(3-hydroxy-1-nitroso-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide | Definition date: | 2008-11-04 | Last modified: | 2021-03-01 | Identifier: | N~2~-[(4-methoxyphenyl)sulfonyl]-N-oxo-D-serinamide |
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![HS5 HS5](https://data.pdbj.org/pdbjplus/data/cc/svg/HS5.svg) | HS5 | Name: | 2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-oxo-ethanamide | Formula: | C10 H11 F N2 O5 S | SMILES: | O=S(=O)(c1ccc(F)cc1)N(CC(=O)N=O)CCO | InChi: | InChI=1S/C10H11FN2O5S/c11-8-1-3-9(4-2-8)19(17,18)13(5-6-14)7-10(15)12-16/h1-4,14H,5-7H2 | Synonyms: | 4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide | Definition date: | 2008-11-04 | Last modified: | 2021-03-01 | Identifier: | N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-(2-hydroxyethyl)-N-oxoglycinamide |
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![815 815](https://data.pdbj.org/pdbjplus/data/cc/svg/815.svg) | 815 | Name: | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | Formula: | C21 H19 N5 O3 S2 | SMILES: | O=C3N(Cc2cc1c(nccc1cc2)N)CCC3NS(=O)(=O)c5sc4cccnc4c5 | InChi: | InChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1 | Synonyms: | RPR208815 | Definition date: | 2000-05-22 | Last modified: | 2021-03-01 | Identifier: | N-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamide |
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![HT6 HT6](https://data.pdbj.org/pdbjplus/data/cc/svg/HT6.svg) | HT6 | Name: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol | Formula: | C18 H29 N5 O S | SMILES: | OC1C(CSCCCCCC)CN(C1)Cc2cnc3c2ncnc3N | InChi: | InChI=1S/C18H29N5OS/c1-2-3-4-5-6-25-11-14-9-23(10-15(14)24)8-13-7-20-17-16(13)21-12-22-18(17)19/h7,12,14-15,20,24H,2-6,8-11H2,1H3,(H2,19,21,22)/t14-,15+/m1/s1 | Synonyms: | Hexylthio-DADMe-Immucillin-A | Definition date: | 2017-09-11 | Last modified: | 2021-03-01 | Release date: | 2018-09-12 | Identifier: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol |
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![81Y 81Y](https://data.pdbj.org/pdbjplus/data/cc/svg/81Y.svg) | 81Y | Name: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole | Formula: | C19 H22 N4 O2 | SMILES: | CC(C)Oc1cc2c(cc1)nnc2c3ccnc(c3)N4CCOCC4 | InChi: | InChI=1S/C19H22N4O2/c1-13(2)25-15-3-4-17-16(12-15)19(22-21-17)14-5-6-20-18(11-14)23-7-9-24-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,22) | Synonyms: | MLi-2 | Definition date: | 2016-12-15 | Last modified: | 2021-03-01 | Release date: | 2017-03-15 | Identifier: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole |
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![HTS HTS](https://data.pdbj.org/pdbjplus/data/cc/svg/HTS.svg) | HTS | Name: | 2-MERCAPTOPHENOL | Formula: | C6 H6 O S | SMILES: | c1c(c(ccc1)S)O | InChi: | InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H | Synonyms: | 2-HYDROXYTHIOPHENOL | Definition date: | 2007-02-27 | Last modified: | 2021-03-01 | Identifier: | 2-sulfanylphenol |
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![HTX HTX](https://data.pdbj.org/pdbjplus/data/cc/svg/HTX.svg) | HTX | Name: | heptan-2-one | Formula: | C7 H14 O | SMILES: | CCCCCC(C)=O | InChi: | InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 | Synonyms: | 2-heptanone | Definition date: | 2009-11-05 | Last modified: | 2021-03-01 | Identifier: | heptan-2-one |
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![82R 82R](https://data.pdbj.org/pdbjplus/data/cc/svg/82R.svg) | 82R | Name: | (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol | Formula: | C27 H44 O4 | SMILES: | C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](O)CC[C]6(C)[CH]5C[CH](O)[C]4(C)[CH]3[CH]2C | InChi: | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1 | Synonyms: | rockogenin | Definition date: | 2017-03-28 | Last modified: | 2021-03-01 | Release date: | 2017-06-07 | Identifier: | (1~{R},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},10~{R},12~{S},13~{S},16~{S},18~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol |
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![843 843](https://data.pdbj.org/pdbjplus/data/cc/svg/843.svg) | 843 | Name: | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE | Formula: | C30 H34 N3 O7 P | SMILES: | O=P(O)(O)Oc1ccc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | InChi: | InChI=1S/C30H34N3O7P/c1-21(34)31-28(19-22-12-16-26(17-13-22)40-41(37,38)39)29(35)32-27-9-5-6-18-33(30(27)36)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)/t27-,28-/m0/s1 | Synonyms: | RU81843 | Definition date: | 2003-06-20 | Last modified: | 2021-03-01 | Identifier: | Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-O-phosphono-L-tyrosinamide |
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![HWU HWU](https://data.pdbj.org/pdbjplus/data/cc/svg/HWU.svg) | HWU | Name: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Formula: | C17 H27 N3 O16 P2 S | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3SC(C(O)C(O)C3NC(=O)C)CO)O)O | InChi: | InChI=1S/C17H27N3O16P2S/c1-6(22)18-10-13(26)12(25)8(4-21)39-16(10)35-38(31,32)36-37(29,30)33-5-7-11(24)14(27)15(34-7)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12+,13-,14-,15-,16?/m1/s1 | Synonyms: | URIDINE DIPHOSPHO-5-THIO-N-ACETYLGALACTOSAMINE | Definition date: | 2014-04-30 | Last modified: | 2021-03-01 | Release date: | 2014-05-28 | Identifier: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![85X 85X](https://data.pdbj.org/pdbjplus/data/cc/svg/85X.svg) | 85X | Name: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole | Formula: | C24 H18 N4 O | SMILES: | Cn1c2ccccc2c3c1c4n(CCC#N)c5ccccc5c4c6CNC(=O)c36 | InChi: | InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29) | Synonyms: | Go 6976 | Definition date: | 2017-04-21 | Last modified: | 2021-03-01 | Release date: | 2017-10-11 |
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![HXT HXT](https://data.pdbj.org/pdbjplus/data/cc/svg/HXT.svg) | HXT | Name: | 2-hydroxy-1-phenylethanone | Formula: | C8 H8 O2 | SMILES: | O=C(c1ccccc1)CO | InChi: | InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2 | Synonyms: | 2-Hydroxyacetophenone | Definition date: | 2013-12-26 | Last modified: | 2021-03-01 | Release date: | 2014-07-16 | Identifier: | 2-hydroxy-1-phenylethanone |
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![881 881](https://data.pdbj.org/pdbjplus/data/cc/svg/881.svg) | 881 | Name: | N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide | Formula: | C38 H40 N8 O3 | SMILES: | n1ccccc1/C(=N/c7ccc(c5oc(c4c(OC2CCNCC2)cc(N=C(c3ncccc3)N)cc4)cc5)c(OC6CCNCC6)c7)N | InChi: | InChI=1S/C38H40N8O3/c39-37(31-5-1-3-17-43-31)45-25-7-9-29(35(23-25)47-27-13-19-41-20-14-27)33-11-12-34(49-33)30-10-8-26(46-38(40)32-6-2-4-18-44-32)24-36(30)48-28-15-21-42-22-16-28/h1-12,17-18,23-24,27-28,41-42H,13-16,19-22H2,(H2,39,45)(H2,40,46) | Synonyms: | DB1880 | Definition date: | 2010-08-24 | Last modified: | 2021-03-01 | Identifier: | N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide |
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![I0X I0X](https://data.pdbj.org/pdbjplus/data/cc/svg/I0X.svg) | I0X | Name: | Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-L-phenylalaninamide | Formula: | C31 H34 N4 O5 | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)C=[N+]=[N-])Cc2ccc(OC(C)(C)C)cc2)Cc3ccccc3 | InChi: | InChI=1S/C31H34N4O5/c1-31(2,3)40-25-16-14-23(15-17-25)18-26(28(36)20-33-32)34-29(37)27(19-22-10-6-4-7-11-22)35-30(38)39-21-24-12-8-5-9-13-24/h4-17,20,26-27H,18-19,21H2,1-3H3,(H,34,37)(H,35,38)/t26-,27-/m0/s1 | Synonyms: | Z-Phe-Tyr(t-Bu)-diazomethylketone | Definition date: | 2010-11-01 | Last modified: | 2021-03-01 | Identifier: | Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-(4-tert-butoxyphenyl)-4-diazo-3-oxobutan-2-yl]-L-phenylalaninamide |
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![8CM 8CM](https://data.pdbj.org/pdbjplus/data/cc/svg/8CM.svg) | 8CM | Name: | 8-HYDROXYCOUMARIN | Formula: | C9 H6 O3 | SMILES: | O=C2Oc1c(O)cccc1C=C2 | InChi: | InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H | Synonyms: | 8-HYDROXY-2H-CHROMENE-2-ONE | Definition date: | 2006-06-12 | Last modified: | 2021-03-01 | Identifier: | 8-hydroxy-2H-chromen-2-one |
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![I52 I52](https://data.pdbj.org/pdbjplus/data/cc/svg/I52.svg) | I52 | Name: | N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE | Formula: | C29 H42 N4 O6 S | SMILES: | O=C(c1ccc(cc1)CCCCC)Nc2ccc(cc2)S(=O)(=O)N(CCN3CCOCC3)C(C(=O)NO)C(C)C | InChi: | InChI=1S/C29H42N4O6S/c1-4-5-6-7-23-8-10-24(11-9-23)28(34)30-25-12-14-26(15-13-25)40(37,38)33(27(22(2)3)29(35)31-36)17-16-32-18-20-39-21-19-32/h8-15,22,27,36H,4-7,16-21H2,1-3H3,(H,30,34)(H,31,35)/t27-/m1/s1 | Synonyms: | SC-74020 | Definition date: | 2000-12-19 | Last modified: | 2021-03-01 | Identifier: | N-(4-{[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl](2-morpholin-4-ylethyl)sulfamoyl}phenyl)-4-pentylbenzamide |
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![1N1 1N1](https://data.pdbj.org/pdbjplus/data/cc/svg/1N1.svg) | 1N1 | Name: | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | Formula: | C22 H26 Cl N7 O2 S | SMILES: | Clc1cccc(c1NC(=O)c2sc(nc2)Nc4nc(nc(N3CCN(CCO)CC3)c4)C)C | InChi: | InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | Synonyms: | Dasatinib | Definition date: | 2006-04-24 | Last modified: | 2021-03-01 | Identifier: | N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide |
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![I5I I5I](https://data.pdbj.org/pdbjplus/data/cc/svg/I5I.svg) | I5I | Name: | 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole | Formula: | C12 H9 N3 O S | SMILES: | S=C=Nc3cc1c(oc(c1)C2=NCCN2)cc3 | InChi: | InChI=1S/C12H9N3OS/c17-7-15-9-1-2-10-8(5-9)6-11(16-10)12-13-3-4-14-12/h1-2,5-6H,3-4H2,(H,13,14) | Synonyms: | 2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran | Definition date: | 2010-12-21 | Last modified: | 2021-03-01 | Identifier: | 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole |
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![1NP 1NP](https://data.pdbj.org/pdbjplus/data/cc/svg/1NP.svg) | 1NP | Name: | 1-NAPHTHOL | Formula: | C10 H8 O | SMILES: | Oc2cccc1ccccc12 | InChi: | InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H | Synonyms: | naphthalen-1-ol | Definition date: | 2008-11-21 | Last modified: | 2021-03-01 | Identifier: | naphthalen-1-ol |
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