Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1c(O)ccc(c1)C=3Oc2cc(O)cc(c2C(C=3O)=O)O |
InChI | InChI | 1.03 | InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 |
InChIKey | InChI | 1.03 | IZQSVPBOUDKVDZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2 |
SMILES | CACTVS | 3.385 | COc1cc(ccc1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O |