Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c3c(O)c(OC)c(O)cc3OC(=C1)c2ccc(O)cc2 |
InChI | InChI | 1.03 | InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3 |
InChIKey | InChI | 1.03 | IHFBPDAQLQOCBX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3 |
SMILES | CACTVS | 3.385 | COc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O |