Quick search:
    Go to Chemie search
    OH OH OH O P O O O OH HO HN H 3 C
    0AT
    Name:2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
    Formula:C8 H16 N O9 P
    SMILES:O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
    InChi:InChI=1/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1/f/h9,14-15H
    Definition date:2007-11-11
    Last modified:2008-10-14
    Identifier:2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
    + P
    119
    Name:TETRAPHENYLPHOSPHONIUM ION
    Formula:C24 H20 P
    SMILES:c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
    InChi:InChI=1/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
    Definition date:2000-05-09
    Last modified:2008-10-14
    Identifier:tetraphenylphosphonium
    N N Ru N N N N N CH 3 O CH 3
    11R
    Name:RUTHENIUM WIRE, 11 CARBON LINKER
    Formula:C51 H75 N7 O Ru
    SMILES:O(c1cccc(N(C)C)c1)CCCCCCCCCCCC2=CCN8C3=C4C(C=CC23)=CC=CN4[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10
    InChi:InChI=1/C31H41N3O.C10H18N2.C10H16N2.Ru/c1-34(2)27-16-12-17-28(24-27)35-23-11-9-7-5-3-4-6-8-10-14-25-20-22-33-31-29(25)19-18-26-15-13-21-32-30(26)31
    Synonyms:BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[11-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)UNDECYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM
    Definition date:2006-02-27
    Last modified:2008-10-14
    Identifier:[(2S,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][N,N-dimethyl-3-({11-[(4aS)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~]undecyl}oxy)anilinato(2-)][(6S)-6-[(2S)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium
    O HO CH 3 HO
    13H
    Name:(9Z,11E,13S)-13-HYDROXYOCTADECA-9,11-DIENOIC ACID
    Formula:C18 H32 O3
    SMILES:O=C(O)CCCCCCC/C=C\C=C\C(O)CCCCC
    InChi:InChI=1/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1/f/h20H
    Definition date:2008-04-29
    Last modified:2008-10-14
    Identifier:(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
    OH OH OH HO OH N
    148
    Name:2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
    Formula:C8 H19 N O5
    SMILES:OCCN(C(CO)(CO)CO)CCO
    InChi:InChI=1/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
    Definition date:2001-10-02
    Last modified:2008-10-14
    Identifier:2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
    Fe O O H 3 C S N N O S
    188
    Name:PYOCHELIN FE(III)
    Formula:C14 H14 Fe N2 O3 S2
    SMILES:CN12|[Fe]|34OC(=O)[CH]1CS[CH]2[CH]5CSC(=N|35)c6ccccc6O4
    InChi:InChI=1/C14H16N2O3S2.Fe/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17
    Definition date:2004-10-13
    Last modified:2008-10-14
    2+ Cu OH
    1CU
    Name:COPPER ION, 1 WATER COORDINATED
    Formula:Cu H2 O
    SMILES:O|[Cu++]
    InChi:InChI=1/Cu.H2O/h
    Definition date:1999-07-08
    Last modified:2008-10-14
    CH 3 CH 2 CH 3 H 2 C H 3 C HO HO O N N N N 2+ Fe H 3 C O
    1FH
    Name:12-PHENYLHEME
    Formula:C40 H38 Fe N4 O4
    SMILES:C[CH]1[CH](C=C)C2=Cc3n4[Fe++]5|6|N7=C(C=c8n5c(=C(c9ccccc9)C1=N2|6)c(C=C)c8C)C(=C(CCC(O)=O)C7=Cc4c(CCC(O)=O)c3C)C
    InChi:InChI=1/C40H40N4O4.Fe/c1-7-26-24(6)39-38(25-12-10-9-11-13-25)40-27(8-2)21(3)32(43-40)18-30-22(4)28(14-16-36(45)46)34(41-30)20-35-29(15-17-37(47)48)23(5)31(42-35)19-33(26)44-39
    Definition date:2004-05-06
    Last modified:2008-10-14
    CH 3 H 3 C NH O OH OH O OH O
    1NA
    Name:N-ACETYL-O-METHYL-D-GLUCOSAMINE
    Formula:C9 H17 N O6
    SMILES:O=C(NC1C(O)C(O)C(OC1OC)CO)C
    InChi:InChI=1/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1/f/h10H
    Synonyms:1NA
    Definition date:2000-10-20
    Last modified:2008-10-14
    Identifier:methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
    CH 3 HO O HN CH 3 O N H O O NH 2 N H CH 3 CH 3 CH 3 H 3 C O HN O HN
    1NI
    Name:4-[2-(2-ACETYLAMINO-3-NAPHTHALEN-1-YL-PROPIONYLAMINO)-3-METHYL-BUTYRYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE
    Formula:C45 H58 N6 O7
    SMILES:O=C(N)C(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc2cccc1ccccc12)C(C)C)CC(C)C)CC)Cc4c3ccccc3ccc4
    InChi:InChI=1/C45H58N6O7/c1-7-35(43(56)50-37(42(46)55)23-31-18-12-16-29-14-8-10-20-33(29)31)48-40(54)25-39(53)36(22-26(2)3)49-45(58)41(27(4)5)51-44(57)38(47-28(6)52)24-32-19-13-17-30-15-9-11-21-34(30)32/h8-21,26-27,35-39,41,53H,7,22-25H2,1-6H3,(H2,46,55)(H,47,52)(H,48,54)(H,49,58)(H,50,56)(H,51,57)/t35-,36-,37-,38-,39-,41-/m0/s1/f/h47-51H,46H2
    Synonyms:LP-130
    Definition date:1999-07-08
    Last modified:2008-10-14
    Identifier:(4S,7S,10S,11S,15S,18S)-15-ethyl-11-hydroxy-7-(1-methylethyl)-10-(2-methylpropyl)-4,18-bis(naphthalen-1-ylmethyl)-2,5,8,13,16-pentaoxo-3,6,9,14,17-pentaazanonadecan-19-amide (non-preferred name)
    O OH O
    1PY
    Name:2-OXO-3-PHENYLPROPIONIC ACID
    Formula:C9 H8 O3
    SMILES:O=C(C(=O)O)Cc1ccccc1
    InChi:InChI=1/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/f/h11H
    Definition date:1999-07-08
    Last modified:2008-10-14
    Identifier:2-oxo-3-phenylpropanoic acid
    Br OH O O
    202
    Name:BROMIC ACID
    Formula:Br H O3
    SMILES:O=Br(=O)O
    InChi:InChI=1/BrHO3/c2-1(3)4/h(H,2,3,4)/f/h2H
    Definition date:2005-11-21
    Last modified:2008-10-14
    Identifier:bromic acid
    Mo O O
    2MO
    Name:MOLYBDENUM (IV)OXIDE
    Formula:Mo O2
    SMILES:O=[Mo]=O
    InChi:InChI=1/Mo.2O/rMoO2/c2-1-3
    Definition date:1999-07-08
    Last modified:2008-10-14
    Identifier:dioxomolybdenum
    N OH O
    2NO
    Name:NITROGEN DIOXIDE
    Formula:N O2
    SMILES:ON=O
    InChi:InChI=1/HNO2/c2-1-3/h(H,2,3)/f/h2H
    Definition date:1999-07-08
    Last modified:2008-10-14
    Identifier:nitrous acid
    2+ Fe HO OH
    2OF
    Name:FERROUS ION, 2 WATERS COORDINATED
    Formula:Fe H4 O2
    SMILES:O|[Fe++]|O
    InChi:InChI=1/Fe.2H2O/h
    Definition date:2002-07-18
    Last modified:2008-10-14
    O OH O O HO
    2OG
    Name:2-OXO-GLUTARIC ACID
    Formula:C5 H6 O5
    SMILES:O=C(O)C(=O)CCC(=O)O
    InChi:InChI=1/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/f/h7,9H
    Definition date:1999-07-08
    Last modified:2008-10-14
    Identifier:2-oxopentanedioic acid
    P O OH O O OH HO
    2PL
    Name:PHOSPHOGLYCOLIC ACID
    Formula:C2 H5 O6 P
    SMILES:O=P(O)(O)OCC(=O)O
    InChi:InChI=1/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)/f/h3,5-6H
    Definition date:1999-07-08
    Last modified:2008-10-14
    Identifier:(phosphonooxy)acetic acid
    O Cl HO O N H O O S O
    345
    Name:4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-4-METHYL-TETRAHYDRO-PYRAN;COMPOUND WITH N-HYDROXY-ACETAMIDE
    Formula:C19 H20 Cl N O6 S
    SMILES:O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)C3(CC(=O)NO)CCOCC3
    InChi:InChI=1/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)/f/h21H
    Definition date:1999-07-08
    Last modified:2008-10-14
    Identifier:2-(4-{[4-(4-chlorophenoxy)phenyl]sulfonyl}tetrahydro-2H-pyran-4-yl)-N-hydroxyacetamide
    B B B H 3 C NH 2 NH 2 B B N B B B B B N
    34B
    Name:2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)-6-METHYLPYRIMIDINE
    Formula:C8 H20 B10 N4
    SMILES:n1c(c(c(nc1N)N)CC%17%18%19%20B7%169B26%14B345B2%15%12B3%13%10B4%118B567C89%20B%10%11%19B%12%13%18B%14%15%16%17)C
    InChi:InChI=1/C8H20B10N4/c1-3-4(5(19)22-6(20)21-3)2-8-7-9(8)11(7)12(7)10(7,8)14(8)13(8,9)15(9,11)17(11,12)16(10,12,14)18(13,14,15)17/h7,9-18H,2H2,1H3,(H4,19,20,21,22)/f/h19-20H2
    Definition date:2005-09-29
    Last modified:2008-10-14
    OH O O OH F HN H 3 C H 3 C CH 3 CH 3
    395
    Name:S-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
    Formula:C23 H26 F N O4
    SMILES:O=C(O)c1ccc(c(F)c1)NC(=O)C(O)c2ccc3c(c2)C(CCC3(C)C)(C)C
    InChi:InChI=1/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m0/s1/f/h25,28H
    Synonyms:BMS270395
    Definition date:2000-05-10
    Last modified:2008-10-14
    Identifier:3-fluoro-4-{[(2S)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino}benzoic acid
    3+ Fe HO OH
    3OF
    Name:HYDRATED FE (III) ION, 2 WATERS COORDINATED
    Formula:Fe H4 O2
    SMILES:O|[Fe+3]|O
    InChi:InChI=1/Fe.2H2O/h
    Definition date:2005-01-31
    Last modified:2008-10-14
    H 2 N N OH N OH HO NH 2
    450
    Name:{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([3-AMINO)PHENYL]METHYL-4,7-BIA(PHENYLMETHYL)-2H-1,3-DIAZEPINONE
    Formula:C33 H38 N4 O3
    SMILES:OC2C(N(Cc1cccc(N)c1)C(O)N(C(C2O)Cc3ccccc3)Cc4cccc(N)c4)Cc5ccccc5
    InChi:InChI=1/C33H38N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-33,38-40H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1
    Synonyms:DMP450
    Definition date:1999-07-08
    Last modified:2008-10-14
    Identifier:(4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-1,3-diazepane-2,5,6-triol
    O H 3 C O O NH
    4RR
    Name:(4R)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE
    Formula:C16 H21 N O3
    SMILES:O=C3NCC(c2cc(OC1CCCC1)c(OC)cc2)C3
    InChi:InChI=1/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1/f/h17H
    Synonyms:(R)-ROLIPRAM
    Definition date:2004-11-17
    Last modified:2008-10-14
    Identifier:(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
    2+ Ca OH OH HO HO HO OH CH 3 O
    543
    Name:CALCIUM ION, 6 WATERS PLUS ETHANOL COORDINATED
    Formula:C2 H18 Ca O7
    SMILES:O|[Ca++](|O)(|O)(|O)(|O)(|O)|OCC
    InChi:InChI=1/C2H6O.Ca.6H2O/c1-2-3
    Definition date:2000-04-04
    Last modified:2008-10-14
    CH 3 O S F N H N N
    577
    Name:4-[5-(4-FLUORO-PHENYL)-2-[4-METHANESULFINYL-PHENYL]-3H-IMIDAZOL-4-YL]-PYRIDINE
    Formula:C21 H16 F N3 O S
    SMILES:Fc4ccc(c2nc(c1ccc(S(=O)C)cc1)nc2c3ccncc3)cc4
    InChi:InChI=1/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)/f/h25H
    Synonyms:SB202190
    Definition date:1999-07-08
    Last modified:2008-10-14
    Identifier:4-[4-(4-fluorophenyl)-2-{4-[(S)-methylsulfinyl]phenyl}-1H-imidazol-5-yl]pyridine