3-methyl-3-(phenylsulfanylmethyl)octan-2-one

Systemtic Name: 3-methyl-3-(phenylsulfanylmethyl)octan-2-one Openeye Name: 3-methyl-3-(phenylsulfanylmethyl)octan-2-one CAS Name: 3-methyl-3-[(phenylthio)methyl]-2-octanone IUPAC Name: 3-methyl-3-(phenylsulfanylmethyl)octan-2-one Traditional Name: 3-methyl-3-[(phenylthio)methyl]octan-2-one Formula: C16H24OS MolecularWeight: 264.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24OS/c1-4-5-9-12-16(3,14(2)17)13-18-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-13H2,1-3H3