Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(=C)(\C)C1C(C=C(C)CC1)c2c(cc(cc2O)CCCCC)O |
InChI | InChI | 1.03 | InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1 |
InChIKey | InChI | 1.03 | QHMBSVQNZZTUGM-ZWKOTPCHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |
SMILES | CACTVS | 3.385 | CCCCCc1cc(O)c([CH]2C=C(C)CC[CH]2C(C)=C)c(O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCc1cc(c(c(c1)O)C2C=C(CCC2C(=C)C)C)O |