1-[4-(3-methylbutylsulfanyl)phenyl]hexan-1-one

Systemtic Name: 1-[4-(3-methylbutylsulfanyl)phenyl]hexan-1-one Openeye Name: 1-(4-isopentylsulfanylphenyl)hexan-1-one CAS Name: 1-[4-(3-methylbutylthio)phenyl]-1-hexanone IUPAC Name: 1-[4-(3-methylbutylsulfanyl)phenyl]hexan-1-one Traditional Name: 1-[4-(isoamylthio)phenyl]hexan-1-one Formula: C17H26OS MolecularWeight: 278.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26OS/c1-4-5-6-7-17(18)15-8-10-16(11-9-15)19-13-12-14(2)3/h8-11,14H,4-7,12-13H2,1-3H3