Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3cc(C=1Oc2c(C(=O)C=1)c(cc(c2)OC)O)cc(c3O)O |
InChI | InChI | 1.03 | InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3 |
InChIKey | InChI | 1.03 | RRRSSAVLTCVNIQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3 |
SMILES | CACTVS | 3.385 | COc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COc1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.4 | COc1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O |