6-(4-methylphenyl)carbonyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-(4-methylphenyl)carbonyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-(4-methylbenzoyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-[(4-methylphenyl)-oxomethyl]-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-(4-methylbenzoyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-6-p-toluoyl-xanthene-2-carboxylic acid Formula: C22H14O5 MolecularWeight: 358.34356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O

InChI

InChI=1S/C22H14O5/c1-12-2-4-13(5-3-12)20(23)14-6-8-16-19(11-14)27-18-9-7-15(22(25)26)10-17(18)21(16)24/h2-11H,1H3,(H,25,26)