methyl 3-(3,4-dimethylphenyl)sulfonylbutanoate

Systemtic Name: methyl 3-(3,4-dimethylphenyl)sulfonylbutanoate Openeye Name: methyl 3-(3,4-dimethylphenyl)sulfonylbutanoate CAS Name: 3-(3,4-dimethylphenyl)sulfonylbutanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethylphenyl)sulfonylbutanoate Traditional Name: 3-(3,4-dimethylphenyl)sulfonylbutyric acid methyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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