A1ECX
Summary
| Name: | 2-[(~{E})-heptadec-10-enyl]-6-oxidanyl-benzoic acid |
| Formula: | C24 H38 O3 |
| Formal charge: | 0 |
| Formula weight: | 374.557 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(~{E})-heptadec-10-enyl]-6-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27) |
| InChIKey | InChI | 1.06 | MBYNDKVOZOAOIS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC/C=C/CCCCCCCCCc1cccc(O)c1C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCC=CCCCCCCCCCc1cccc(O)c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC/C=C/CCCCCCCCCc1cccc(c1C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCC=CCCCCCCCCCc1cccc(c1C(=O)O)O |
