4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxylic acid Openeye Name: 1-oxo-4-(p-tolyl)isochromene-3-carboxylic acid CAS Name: 4-(4-methylphenyl)-1-oxo-2-benzopyran-3-carboxylic acid IUPAC Name: 4-(4-methylphenyl)-1-oxoisochromene-3-carboxylic acid Traditional Name: 1-keto-4-(p-tolyl)isochromene-3-carboxylic acid Formula: C17H12O4 MolecularWeight: 280.27478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H12O4/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)17(20)21-15(14)16(18)19/h2-9H,1H3,(H,18,19)