methyl 3-(2,4,6-trimethylphenyl)sulfonylpropanoate

Systemtic Name: methyl 3-(2,4,6-trimethylphenyl)sulfonylpropanoate Openeye Name: methyl 3-(2,4,6-trimethylphenyl)sulfonylpropanoate CAS Name: 3-(2,4,6-trimethylphenyl)sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-(2,4,6-trimethylphenyl)sulfonylpropanoate Traditional Name: 3-mesitylsulfonylpropionic acid methyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-9-7-10(2)13(11(3)8-9)18(15,16)6-5-12(14)17-4/h7-8H,5-6H2,1-4H3