L4H
Summary
| Name: | farnesyl dihydroxybenzoate |
| Formula: | C22 H30 O4 |
| Formal charge: | 0 |
| Formula weight: | 358.471 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,4-bis(oxidanyl)-5-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H30O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-19(22(25)26)14-20(23)21(18)24/h7,9,11,13-14,23-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b16-9+,17-11+ |
| InChIKey | InChI | 1.03 | VWHKYMBCXCSQEZ-BTMZFSHUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCC\C(C)=C\CCC(/C)=C/Cc1cc(cc(O)c1O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=CCCC(=CCc1cc(cc(c1O)O)C(=O)O)C)C)C |
