3-methyl-4-phenylsulfanyl-butan-2-one

Systemtic Name: 3-methyl-4-phenylsulfanyl-butan-2-one Openeye Name: 3-methyl-4-phenylsulfanyl-butan-2-one CAS Name: 3-methyl-4-(phenylthio)-2-butanone IUPAC Name: 3-methyl-4-phenylsulfanylbutan-2-one Traditional Name: 3-methyl-4-(phenylthio)butan-2-one Formula: C11H14OS MolecularWeight: 194.29326

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1)C(=O)C

Isomeric SMILES

CC(CSC1=CC=CC=C1)C(=O)C

InChI

InChI=1S/C11H14OS/c1-9(10(2)12)8-13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3