methyl 3-(2,5-dimethylphenyl)sulfonylpropanoate

Systemtic Name: methyl 3-(2,5-dimethylphenyl)sulfonylpropanoate Openeye Name: methyl 3-(2,5-dimethylphenyl)sulfonylpropanoate CAS Name: 3-(2,5-dimethylphenyl)sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-(2,5-dimethylphenyl)sulfonylpropanoate Traditional Name: 3-(2,5-dimethylphenyl)sulfonylpropionic acid methyl ester Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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