Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CC(C)CCCC(\C=C1\C(=C(CC)CCC1)CCC(C)C)C |
InChI | InChI | 1.03 | InChI=1S/C23H40O2/c1-6-20-11-8-12-21(22(20)14-13-17(2)3)15-18(4)9-7-10-19(5)16-23(24)25/h15,17-19H,6-14,16H2,1-5H3,(H,24,25)/b21-15+/t18-,19-/m0/s1 |
InChIKey | InChI | 1.03 | XIXDFZCDSAMZDB-AQOSXKMFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC1=C(CCC(C)C)/C(CCC1)=C/[C@@H](C)CCC[C@H](C)CC(O)=O |
SMILES | CACTVS | 3.385 | CCC1=C(CCC(C)C)C(CCC1)=C[CH](C)CCC[CH](C)CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC1=C(/C(=C/C(C)CCCC(C)CC(=O)O)/CCC1)CCC(C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC1=C(C(=CC(C)CCCC(C)CC(=O)O)CCC1)CCC(C)C |