2-(4-methanoyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 2-(4-methanoyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 2-(4-formyl-3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 2-(4-formyl-3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 2-(4-formyl-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-(4-formyl-3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C21H12O6 MolecularWeight: 360.31638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4C=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4C=O)O)C(=O)O

InChI

InChI=1S/C21H12O6/c22-10-16-17(24)8-7-15-19(12-3-1-2-4-13(12)21(25)26)14-6-5-11(23)9-18(14)27-20(15)16/h1-10,24H,(H,25,26)