methyl 3-(4-methylphenyl)sulfonylbutanoate

Systemtic Name: methyl 3-(4-methylphenyl)sulfonylbutanoate Openeye Name: methyl 3-(p-tolylsulfonyl)butanoate CAS Name: 3-(4-methylphenyl)sulfonylbutanoic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)sulfonylbutanoate Traditional Name: 3-tosylbutyric acid methyl ester Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-9-4-6-11(7-5-9)17(14,15)10(2)8-12(13)16-3/h4-7,10H,8H2,1-3H3