(1-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)methyl 2-(phenylsulfinyl)ethanoate

Systemtic Name: (1-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)methyl 2-(phenylsulfinyl)ethanoate Openeye Name: (1-methyl-4-oxo-cyclohexa-2,5-dien-1-yl)methyl 2-(benzenesulfinyl)acetate CAS Name: 2-(benzenesulfinyl)acetic acid (1-methyl-4-oxo-1-cyclohexa-2,5-dienyl)methyl ester IUPAC Name: (1-methyl-4-oxocyclohexa-2,5-dien-1-yl)methyl 2-(benzenesulfinyl)acetate Traditional Name: 2-(benzenesulfinyl)acetic acid (4-keto-1-methyl-cyclohexa-2,5-dien-1-yl)methyl ester Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=O)C=C1)COC(=O)CS(=O)C2=CC=CC=C2

Isomeric SMILES

CC1(C=CC(=O)C=C1)COC(=O)CS(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16O4S/c1-16(9-7-13(17)8-10-16)12-20-15(18)11-21(19)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3