Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(c1cc(c(cc1)CC)c2ccc(cc2CCC)C(O)(CC)CC)Cc3ccc(c(c3)CO)CO |
InChI | InChI | 1.03 | InChI=1S/C31H40O4/c1-5-9-24-17-27(31(34,7-3)8-4)13-15-29(24)30-18-28(14-12-23(30)6-2)35-21-22-10-11-25(19-32)26(16-22)20-33/h10-18,32-34H,5-9,19-21H2,1-4H3 |
InChIKey | InChI | 1.03 | SMKNKOCYSYNJHN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCc1cc(ccc1c2cc(OCc3ccc(CO)c(CO)c3)ccc2CC)C(O)(CC)CC |
SMILES | CACTVS | 3.370 | CCCc1cc(ccc1c2cc(OCc3ccc(CO)c(CO)c3)ccc2CC)C(O)(CC)CC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCc1cc(ccc1c2cc(ccc2CC)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCc1cc(ccc1c2cc(ccc2CC)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O |