Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |
SMILES | CACTVS | 3.352 | CCCCCc1cc(O)c2[CH]3C=C(C)CC[CH]3C(C)(C)Oc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCCCc1cc(c2c(c1)OC(C3C2C=C(CC3)C)(C)C)O |
InChI | InChI | 1.03 | InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 |
InChIKey | InChI | 1.03 | CYQFCXCEBYINGO-IAGOWNOFSA-N |