Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(C(/C=C(/C(O)=O)O)=O)ccc2cc(ccc2c1)OC |
InChI | InChI | 1.03 | InChI=1S/C15H12O5/c1-20-12-5-4-9-6-11(3-2-10(9)7-12)13(16)8-14(17)15(18)19/h2-8,17H,1H3,(H,18,19)/b14-8- |
InChIKey | InChI | 1.03 | GXCSYGHKRWPUNE-ZSOIEALJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2cc(ccc2c1)C(=O)/C=C(O)/C(O)=O |
SMILES | CACTVS | 3.385 | COc1ccc2cc(ccc2c1)C(=O)C=C(O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc2cc(ccc2c1)C(=O)C=C(C(=O)O)O |