4-(3,4-dimethylphenyl)-1-oxidanylidene-isochromene-3-carboxylic acid

Systemtic Name: 4-(3,4-dimethylphenyl)-1-oxidanylidene-isochromene-3-carboxylic acid Openeye Name: 4-(3,4-dimethylphenyl)-1-oxo-isochromene-3-carboxylic acid CAS Name: 4-(3,4-dimethylphenyl)-1-oxo-2-benzopyran-3-carboxylic acid IUPAC Name: 4-(3,4-dimethylphenyl)-1-oxoisochromene-3-carboxylic acid Traditional Name: 4-(3,4-dimethylphenyl)-1-keto-isochromene-3-carboxylic acid Formula: C18H14O4 MolecularWeight: 294.30136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14O4/c1-10-7-8-12(9-11(10)2)15-13-5-3-4-6-14(13)18(21)22-16(15)17(19)20/h3-9H,1-2H3,(H,19,20)