Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c2cccc(O/C(C(=O)O)=C\c1ccccc1)c2O |
InChI | InChI | 1.03 | InChI=1S/C16H12O6/c17-14-11(15(18)19)7-4-8-12(14)22-13(16(20)21)9-10-5-2-1-3-6-10/h1-9,17H,(H,18,19)(H,20,21)/b13-9- |
InChIKey | InChI | 1.03 | GJZVTQNBNWGGSJ-LCYFTJDESA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C(/Oc1cccc(C(O)=O)c1O)=C/c2ccccc2 |
SMILES | CACTVS | 3.370 | OC(=O)C(Oc1cccc(C(O)=O)c1O)=Cc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)/C=C(/C(=O)O)\Oc2cccc(c2O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C=C(C(=O)O)Oc2cccc(c2O)C(=O)O |