Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2C(=CC1=CC(=O)C3C(C1=C2O)(CCCC3(C)C)C)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1 |
InChIKey | InChI | 1.03 | FNNZMRSRVYUVQT-AZUAARDMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=CC2=CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O |
SMILES | CACTVS | 3.385 | CC(C)C1=CC2=CC(=O)[CH]3C(C)(C)CCC[C]3(C)C2=C(O)C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)C1=CC2=CC(=O)C3C(CCCC3(C2=C(C1=O)O)C)(C)C |