Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)\C=C\c3cc(c1c(cc2c(c1)C(CCC2(C)C)(C)C)C)c(O)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc2c(cc1c3cc(/C=C/C(O)=O)ccc3O)C(C)(C)CCC2(C)C |
SMILES | CACTVS | 3.341 | Cc1cc2c(cc1c3cc(C=CC(O)=O)ccc3O)C(C)(C)CCC2(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(cc1c3cc(ccc3O)C=CC(=O)O)C(CCC2(C)C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C24H28O3/c1-15-12-19-20(24(4,5)11-10-23(19,2)3)14-17(15)18-13-16(6-8-21(18)25)7-9-22(26)27/h6-9,12-14,25H,10-11H2,1-5H3,(H,26,27)/b9-7+ |
InChIKey | InChI | 1.03 | DYLLZSVPAUUSSB-VQHVLOKHSA-N |