methyl 2-(4-methylphenyl)sulfonylbutanoate

Systemtic Name: methyl 2-(4-methylphenyl)sulfonylbutanoate Openeye Name: methyl 2-(p-tolylsulfonyl)butanoate CAS Name: 2-(4-methylphenyl)sulfonylbutanoic acid methyl ester IUPAC Name: methyl 2-(4-methylphenyl)sulfonylbutanoate Traditional Name: 2-tosylbutyric acid methyl ester Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-4-11(12(13)16-3)17(14,15)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3