3,3-dimethyl-1-oxidanylidene-4H-isochromene-4-carboxylic acid

Systemtic Name: 3,3-dimethyl-1-oxidanylidene-4H-isochromene-4-carboxylic acid Openeye Name: 3,3-dimethyl-1-oxo-isochromane-4-carboxylic acid CAS Name: 3,3-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: 3,3-dimethyl-1-oxo-4H-isochromene-4-carboxylic acid Traditional Name: 1-keto-3,3-dimethyl-isochroman-4-carboxylic acid Formula: C12H12O4 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=CC=CC=C2C(=O)O1)C(=O)O)C

Isomeric SMILES

CC1(C(C2=CC=CC=C2C(=O)O1)C(=O)O)C

InChI

InChI=1S/C12H12O4/c1-12(2)9(10(13)14)7-5-3-4-6-8(7)11(15)16-12/h3-6,9H,1-2H3,(H,13,14)