Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)\C=C(\C=C\C=C(/C=C1/C(=C(C(C)C)CCC1)CCC(C)C)C)C |
InChI | InChI | 1.03 | InChI=1S/C24H36O2/c1-17(2)13-14-23-21(11-8-12-22(23)18(3)4)15-19(5)9-7-10-20(6)16-24(25)26/h7,9-10,15-18H,8,11-14H2,1-6H3,(H,25,26)/b10-7+,19-9-,20-16+,21-15+ |
InChIKey | InChI | 1.03 | FMJPOOLCNCUSEB-QBSSGBIUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCC\1=C(CCCC\1=C\C(C)=C/C=C/C(C)=C/C(O)=O)C(C)C |
SMILES | CACTVS | 3.385 | CC(C)CCC1=C(CCCC1=CC(C)=CC=CC(C)=CC(O)=O)C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C(C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CCC1=C(CCCC1=CC(=CC=CC(=CC(=O)O)C)C)C(C)C |