Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1cc(O)ccc1C3=C(c2ccc(O)cc2C)C4S(=O)C3CC4S(=O)(=O)Oc5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C26H24O6S2/c1-15-12-17(27)8-10-20(15)24-22-14-23(34(30,31)32-19-6-4-3-5-7-19)26(33(22)29)25(24)21-11-9-18(28)13-16(21)2/h3-13,22-23,26-28H,14H2,1-2H3/t22-,23-,26+,33-/m0/s1 |
InChIKey | InChI | 1.03 | WTJIWNQLQUCGTK-SWLZIIEXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(O)ccc1C2=C([C@H]3[C@H](C[C@@H]2[S@@]3=O)[S](=O)(=O)Oc4ccccc4)c5ccc(O)cc5C |
SMILES | CACTVS | 3.385 | Cc1cc(O)ccc1C2=C([CH]3[CH](C[CH]2[S]3=O)[S](=O)(=O)Oc4ccccc4)c5ccc(O)cc5C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(cc5C)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(ccc1C2=C(C3C(CC2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(cc5C)O)O |