methyl 3,3-dimethyl-1-oxidanylidene-4H-isochromene-4-carboxylate

Systemtic Name: methyl 3,3-dimethyl-1-oxidanylidene-4H-isochromene-4-carboxylate Openeye Name: methyl 3,3-dimethyl-1-oxo-isochromane-4-carboxylate CAS Name: 3,3-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid methyl ester IUPAC Name: methyl 3,3-dimethyl-1-oxo-4H-isochromene-4-carboxylate Traditional Name: 1-keto-3,3-dimethyl-isochroman-4-carboxylic acid methyl ester Formula: C13H14O4 MolecularWeight: 234.24786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4/c1-13(2)10(12(15)16-3)8-6-4-5-7-9(8)11(14)17-13/h4-7,10H,1-3H3