4,6,7-trimethyl-1-oxidanylidene-isochromene-3-carboxylic acid

Systemtic Name: 4,6,7-trimethyl-1-oxidanylidene-isochromene-3-carboxylic acid Openeye Name: 4,6,7-trimethyl-1-oxo-isochromene-3-carboxylic acid CAS Name: 4,6,7-trimethyl-1-oxo-2-benzopyran-3-carboxylic acid IUPAC Name: 4,6,7-trimethyl-1-oxoisochromene-3-carboxylic acid Traditional Name: 1-keto-4,6,7-trimethyl-isochromene-3-carboxylic acid Formula: C13H12O4 MolecularWeight: 232.23198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(OC2=O)C(=O)O)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(OC2=O)C(=O)O)C)C

InChI

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