(2-ethanoyl-4-methyl-phenyl) (3S)-3,7-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxylate

Systemtic Name: (2-ethanoyl-4-methyl-phenyl) (3S)-3,7-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxylate Openeye Name: (2-acetyl-4-methyl-phenyl) (3S)-3,7-dimethyl-1-oxo-isochromane-3-carboxylate CAS Name: (3S)-3,7-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid (2-acetyl-4-methylphenyl) ester IUPAC Name: (2-acetyl-4-methylphenyl) (3S)-3,7-dimethyl-1-oxo-4H-isochromene-3-carboxylate Traditional Name: (3S)-1-keto-3,7-dimethyl-isochroman-3-carboxylic acid (2-acetyl-4-methyl-phenyl) ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(OC2=O)(C)C(=O)OC3=C(C=C(C=C3)C)C(=O)C)C=C1

Isomeric SMILES

CC1=CC2=C(C[C@@](OC2=O)(C)C(=O)OC3=C(C=C(C=C3)C)C(=O)C)C=C1

InChI

InChI=1S/C21H20O5/c1-12-5-7-15-11-21(4,26-19(23)17(15)10-12)20(24)25-18-8-6-13(2)9-16(18)14(3)22/h5-10H,11H2,1-4H3/t21-/m0/s1