3,3-dimethyl-1-(phenylmethylsulfanyl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(phenylmethylsulfanyl)butan-2-one Openeye Name: 1-benzylsulfanyl-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-(phenylmethylthio)-2-butanone IUPAC Name: 1-benzylsulfanyl-3,3-dimethylbutan-2-one Traditional Name: 1-(benzylthio)-3,3-dimethyl-butan-2-one Formula: C13H18OS MolecularWeight: 222.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)CSCC1=CC=CC=C1

InChI

InChI=1S/C13H18OS/c1-13(2,3)12(14)10-15-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3