(2,4-dimethylphenyl) (3R)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: (2,4-dimethylphenyl) (3R)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: (2,4-dimethylphenyl) (3R)-1-oxoisochromane-3-carboxylate CAS Name: (3R)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) (3R)-1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: (3R)-1-ketoisochroman-3-carboxylic acid (2,4-dimethylphenyl) ester Formula: C18H16O4 MolecularWeight: 296.31724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2CC3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)[C@H]2CC3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C18H16O4/c1-11-7-8-15(12(2)9-11)21-18(20)16-10-13-5-3-4-6-14(13)17(19)22-16/h3-9,16H,10H2,1-2H3/t16-/m1/s1