butyl 2-(4-methylphenyl)sulfonylethanoate

Systemtic Name: butyl 2-(4-methylphenyl)sulfonylethanoate Openeye Name: butyl 2-(p-tolylsulfonyl)acetate CAS Name: 2-(4-methylphenyl)sulfonylacetic acid butyl ester IUPAC Name: butyl 2-(4-methylphenyl)sulfonylacetate Traditional Name: 2-tosylacetic acid butyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCOC(=O)CS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H18O4S/c1-3-4-9-17-13(14)10-18(15,16)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3