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

Systemtic Name: 3-(2-phenyl-2-phenylsulfanyl-ethyl)hexan-2-one Openeye Name: 3-(2-phenyl-2-phenylsulfanyl-ethyl)hexan-2-one CAS Name: 3-[2-phenyl-2-(phenylthio)ethyl]-2-hexanone IUPAC Name: 3-(2-phenyl-2-phenylsulfanylethyl)hexan-2-one Traditional Name: 3-[2-phenyl-2-(phenylthio)ethyl]hexan-2-one Formula: C20H24OS MolecularWeight: 312.46896

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C1=CC=CC=C1)SC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CCCC(CC(C1=CC=CC=C1)SC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C20H24OS/c1-3-10-18(16(2)21)15-20(17-11-6-4-7-12-17)22-19-13-8-5-9-14-19/h4-9,11-14,18,20H,3,10,15H2,1-2H3