Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3O |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 |
SMILES | CACTVS | 3.341 | Oc1ccc(cc1)[CH]2CC(=O)c3c(O)cc(O)cc3O2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 |
InChIKey | InChI | 1.03 | FTVWIRXFELQLPI-ZDUSSCGKSA-N |