Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(O)ccc(c1)C3=C(c2ccc(O)cc2)C4CC(C3O4)S(=O)(N(CC)c5ccc6c(c5)cccc6)=O |
InChI | InChI | 1.03 | InChI=1S/C30H27NO5S/c1-2-31(23-12-7-19-5-3-4-6-22(19)17-23)37(34,35)27-18-26-28(20-8-13-24(32)14-9-20)29(30(27)36-26)21-10-15-25(33)16-11-21/h3-17,26-27,30,32-33H,2,18H2,1H3/t26-,27+,30+/m0/s1 |
InChIKey | InChI | 1.03 | NWFALEHEZQFOMU-PVTPYKNESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(c1ccc2ccccc2c1)[S](=O)(=O)[C@@H]3C[C@@H]4O[C@H]3C(=C4c5ccc(O)cc5)c6ccc(O)cc6 |
SMILES | CACTVS | 3.385 | CCN(c1ccc2ccccc2c1)[S](=O)(=O)[CH]3C[CH]4O[CH]3C(=C4c5ccc(O)cc5)c6ccc(O)cc6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCN(c1ccc2ccccc2c1)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O |
SMILES | OpenEye OEToolkits | 1.9.2 | CCN(c1ccc2ccccc2c1)S(=O)(=O)C3CC4C(=C(C3O4)c5ccc(cc5)O)c6ccc(cc6)O |