4,5-dimethyl-1-oxidanylidene-isochromene-3-carboxylic acid

Systemtic Name: 4,5-dimethyl-1-oxidanylidene-isochromene-3-carboxylic acid Openeye Name: 4,5-dimethyl-1-oxo-isochromene-3-carboxylic acid CAS Name: 4,5-dimethyl-1-oxo-2-benzopyran-3-carboxylic acid IUPAC Name: 4,5-dimethyl-1-oxoisochromene-3-carboxylic acid Traditional Name: 1-keto-4,5-dimethyl-isochromene-3-carboxylic acid Formula: C12H10O4 MolecularWeight: 218.2054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=C(OC2=O)C(=O)O)C

Isomeric SMILES

CC1=CC=CC2=C1C(=C(OC2=O)C(=O)O)C

InChI

InChI=1S/C12H10O4/c1-6-4-3-5-8-9(6)7(2)10(11(13)14)16-12(8)15/h3-5H,1-2H3,(H,13,14)