3,3-dimethyl-1-phenylsulfanyl-octan-2-one

Systemtic Name: 3,3-dimethyl-1-phenylsulfanyl-octan-2-one Openeye Name: 3,3-dimethyl-1-phenylsulfanyl-octan-2-one CAS Name: 3,3-dimethyl-1-(phenylthio)-2-octanone IUPAC Name: 3,3-dimethyl-1-phenylsulfanyloctan-2-one Traditional Name: 3,3-dimethyl-1-(phenylthio)octan-2-one Formula: C16H24OS MolecularWeight: 264.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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