Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C=1(CCC(C(C=1)c2c(CCCCC)cc(cc2O)O)\C(=C)C)C |
InChI | InChI | 1.03 | InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1 |
InChIKey | InChI | 1.03 | YWEZXUNAYVCODW-RBUKOAKNSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCc1cc(O)cc(O)c1[C@@H]2C=C(C)CC[C@H]2C(C)=C |
SMILES | CACTVS | 3.385 | CCCCCc1cc(O)cc(O)c1[CH]2C=C(C)CC[CH]2C(C)=C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCc1cc(cc(c1C2C=C(CCC2C(=C)C)C)O)O |