Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C21H12O6/c22-10-11-1-4-14(21(25)26)17(7-11)20-15-5-2-12(23)8-18(15)27-19-9-13(24)3-6-16(19)20/h1-10,23H,(H,25,26) |
InChIKey | InChI | 1.06 | CYKLSLGBUUWGRE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(C=O)cc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc(C=O)cc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C=O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C=O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O |