Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2c3c(OC(c1ccc(O)c(O)c1)C2O)cc(O)cc3O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 |
SMILES | CACTVS | 3.341 | O[CH]1[CH](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m1/s1 |
InChIKey | InChI | 1.03 | CXQWRCVTCMQVQX-CABCVRRESA-N |