Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C21CC(=C(C1(CCC2O)/C(c3ccccc3)=C)c4ccccc4)CCCCCC |
InChI | InChI | 1.03 | InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m1/s1 |
InChIKey | InChI | 1.03 | ZFXMYHPLTQTTFW-FULLSBAXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC1=C(c2ccccc2)[C@]3(CC[C@H](O)[C@H]3C1)C(=C)c4ccccc4 |
SMILES | CACTVS | 3.385 | CCCCCCC1=C(c2ccccc2)[C]3(CC[CH](O)[CH]3C1)C(=C)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCC1=C([C@]2(CC[C@@H]([C@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCC1=C(C2(CCC(C2C1)O)C(=C)c3ccccc3)c4ccccc4 |