methyl 3-(phenylmethyl)sulfonylbutanoate

Systemtic Name: methyl 3-(phenylmethyl)sulfonylbutanoate Openeye Name: methyl 3-benzylsulfonylbutanoate CAS Name: 3-(phenylmethyl)sulfonylbutanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfonylbutanoate Traditional Name: 3-benzylsulfonylbutyric acid methyl ester Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)S(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(CC(=O)OC)S(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C12H16O4S/c1-10(8-12(13)16-2)17(14,15)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3