3-(2-phenyl-2-sulfanyl-ethyl)hexan-2-one

Systemtic Name: 3-(2-phenyl-2-sulfanyl-ethyl)hexan-2-one Openeye Name: 3-(2-phenyl-2-sulfanyl-ethyl)hexan-2-one CAS Name: 3-(2-mercapto-2-phenylethyl)-2-hexanone IUPAC Name: 3-(2-phenyl-2-sulfanylethyl)hexan-2-one Traditional Name: 3-(2-mercapto-2-phenyl-ethyl)hexan-2-one Formula: C14H20OS MolecularWeight: 236.373

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C1=CC=CC=C1)S)C(=O)C

Isomeric SMILES

CCCC(CC(C1=CC=CC=C1)S)C(=O)C

InChI

InChI=1S/C14H20OS/c1-3-7-13(11(2)15)10-14(16)12-8-5-4-6-9-12/h4-6,8-9,13-14,16H,3,7,10H2,1-2H3