(3S)-3,7-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxylate

Systemtic Name: (3S)-3,7-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxylate Openeye Name: (3S)-3,7-dimethyl-1-oxo-isochromane-3-carboxylate CAS Name: (3S)-3,7-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylate IUPAC Name: (3S)-3,7-dimethyl-1-oxo-4H-isochromene-3-carboxylate Traditional Name: (3S)-1-keto-3,7-dimethyl-isochroman-3-carboxylate Formula: C12H11O4- MolecularWeight: 219.21334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(OC2=O)(C)C(=O)[O-])C=C1

Isomeric SMILES

CC1=CC2=C(C[C@@](OC2=O)(C)C(=O)[O-])C=C1

InChI

InChI=1S/C12H12O4/c1-7-3-4-8-6-12(2,11(14)15)16-10(13)9(8)5-7/h3-5H,6H2,1-2H3,(H,14,15)/p-1/t12-/m0/s1