methyl 3,7-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxylate

Systemtic Name: methyl 3,7-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxylate Openeye Name: methyl 3,7-dimethyl-1-oxo-isochromane-3-carboxylate CAS Name: 3,7-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 3,7-dimethyl-1-oxo-4H-isochromene-3-carboxylate Traditional Name: 1-keto-3,7-dimethyl-isochroman-3-carboxylic acid methyl ester Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(OC2=O)(C)C(=O)OC)C=C1

Isomeric SMILES

CC1=CC2=C(CC(OC2=O)(C)C(=O)OC)C=C1

InChI

InChI=1S/C13H14O4/c1-8-4-5-9-7-13(2,12(15)16-3)17-11(14)10(9)6-8/h4-6H,7H2,1-3H3