[1,1-bis(methylsulfanyl)-4-oxidanylidene-4-phenyl-butan-2-yl] ethanoate

Systemtic Name: [1,1-bis(methylsulfanyl)-4-oxidanylidene-4-phenyl-butan-2-yl] ethanoate Openeye Name: [1-[bis(methylsulfanyl)methyl]-3-oxo-3-phenyl-propyl] acetate CAS Name: acetic acid [1,1-bis(methylthio)-4-oxo-4-phenylbutan-2-yl] ester IUPAC Name: [1,1-bis(methylsulfanyl)-4-oxo-4-phenylbutan-2-yl] acetate Traditional Name: acetic acid [1-[bis(methylthio)methyl]-3-keto-3-phenyl-propyl] ester Formula: C14H18O3S2 MolecularWeight: 298.42092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)C1=CC=CC=C1)C(SC)SC

Isomeric SMILES

CC(=O)OC(CC(=O)C1=CC=CC=C1)C(SC)SC

InChI

InChI=1S/C14H18O3S2/c1-10(15)17-13(14(18-2)19-3)9-12(16)11-7-5-4-6-8-11/h4-8,13-14H,9H2,1-3H3