3-(2,4,6-trimethylphenyl)sulfonylpropanoic acid

Systemtic Name: 3-(2,4,6-trimethylphenyl)sulfonylpropanoic acid Openeye Name: 3-(2,4,6-trimethylphenyl)sulfonylpropanoic acid CAS Name: 3-(2,4,6-trimethylphenyl)sulfonylpropanoic acid IUPAC Name: 3-(2,4,6-trimethylphenyl)sulfonylpropanoic acid Traditional Name: 3-mesitylsulfonylpropionic acid 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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-8-6-9(2)12(10(3)7-8)17(15,16)5-4-11(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)