Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OCc1cc(ccc1CO)CCc3ccc(c(c2ccc(cc2CCC)C(O)(CC)CC)c3)C |
InChI | InChI | 1.03 | InChI=1S/C31H40O3/c1-5-8-25-19-28(31(34,6-2)7-3)15-16-29(25)30-18-24(10-9-22(30)4)12-11-23-13-14-26(20-32)27(17-23)21-33/h9-10,13-19,32-34H,5-8,11-12,20-21H2,1-4H3 |
InChIKey | InChI | 1.03 | ONKMRBXENJVARV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCc1cc(ccc1c2cc(CCc3ccc(CO)c(CO)c3)ccc2C)C(O)(CC)CC |
SMILES | CACTVS | 3.370 | CCCc1cc(ccc1c2cc(CCc3ccc(CO)c(CO)c3)ccc2C)C(O)(CC)CC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCc1cc(ccc1c2cc(ccc2C)CCc3ccc(c(c3)CO)CO)C(CC)(CC)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCc1cc(ccc1c2cc(ccc2C)CCc3ccc(c(c3)CO)CO)C(CC)(CC)O |