4,5,6-trimethyl-1-oxidanylidene-isochromene-3-carboxylic acid

Systemtic Name: 4,5,6-trimethyl-1-oxidanylidene-isochromene-3-carboxylic acid Openeye Name: 4,5,6-trimethyl-1-oxo-isochromene-3-carboxylic acid CAS Name: 4,5,6-trimethyl-1-oxo-2-benzopyran-3-carboxylic acid IUPAC Name: 4,5,6-trimethyl-1-oxoisochromene-3-carboxylic acid Traditional Name: 1-keto-4,5,6-trimethyl-isochromene-3-carboxylic acid Formula: C13H12O4 MolecularWeight: 232.23198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)OC(=C2C)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)OC(=C2C)C(=O)O)C

InChI

InChI=1S/C13H12O4/c1-6-4-5-9-10(7(6)2)8(3)11(12(14)15)17-13(9)16/h4-5H,1-3H3,(H,14,15)