methyl 3-(phenylsulfonyl)hexanoate

Systemtic Name: methyl 3-(phenylsulfonyl)hexanoate Openeye Name: methyl 3-(benzenesulfonyl)hexanoate CAS Name: 3-(benzenesulfonyl)hexanoic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonyl)hexanoate Traditional Name: 3-besylhexanoic acid methyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-3-7-12(10-13(14)17-2)18(15,16)11-8-5-4-6-9-11/h4-6,8-9,12H,3,7,10H2,1-2H3