Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC1C2(C(C(C1)CC2)(C)C)C)c3ccc(cc3)O |
InChI | InChI | 1.03 | InChI=1S/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14+,17+/m0/s1 |
InChIKey | InChI | 1.03 | WZBMPPVYPMMRNT-DXCKQFNASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)c3ccc(O)cc3 |
SMILES | CACTVS | 3.385 | CC1(C)[CH]2CC[C]1(C)[CH](C2)OC(=O)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)c3ccc(cc3)O |
SMILES | OpenEye OEToolkits | 2.0.4 | CC1(C2CCC1(C(C2)OC(=O)c3ccc(cc3)O)C)C |