[(E)-3-methyl-4-(phenylsulfinyl)but-2-enyl] ethanoate

Systemtic Name: [(E)-3-methyl-4-(phenylsulfinyl)but-2-enyl] ethanoate Openeye Name: [(E)-4-(benzenesulfinyl)-3-methyl-but-2-enyl] acetate CAS Name: acetic acid [(E)-4-(benzenesulfinyl)-3-methylbut-2-enyl] ester IUPAC Name: [(E)-4-(benzenesulfinyl)-3-methylbut-2-enyl] acetate Traditional Name: acetic acid [(E)-4-(benzenesulfinyl)-3-methyl-but-2-enyl] ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C)CS(=O)C1=CC=CC=C1

Isomeric SMILES

C/C(=C\COC(=O)C)/CS(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H16O3S/c1-11(8-9-16-12(2)14)10-17(15)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3/b11-8+