2-ethyl-1-(4-methylsulfanylphenyl)-2-(phenylsulfonyl)hexan-1-one

Systemtic Name: 2-ethyl-1-(4-methylsulfanylphenyl)-2-(phenylsulfonyl)hexan-1-one Openeye Name: 2-(benzenesulfonyl)-2-ethyl-1-(4-methylsulfanylphenyl)hexan-1-one CAS Name: 2-(benzenesulfonyl)-2-ethyl-1-[4-(methylthio)phenyl]-1-hexanone IUPAC Name: 2-(benzenesulfonyl)-2-ethyl-1-(4-methylsulfanylphenyl)hexan-1-one Traditional Name: 2-besyl-2-ethyl-1-[4-(methylthio)phenyl]hexan-1-one Formula: C21H26O3S2 MolecularWeight: 390.55934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(C(=O)C1=CC=C(C=C1)SC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)(C(=O)C1=CC=C(C=C1)SC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26O3S2/c1-4-6-16-21(5-2,26(23,24)19-10-8-7-9-11-19)20(22)17-12-14-18(25-3)15-13-17/h7-15H,4-6,16H2,1-3H3