3-(3,4-dimethylphenyl)sulfonyl-2-methyl-propanoic acid

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-2-methyl-propanoic acid Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-2-methyl-propanoic acid CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-2-methylpropanoic acid IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-2-methylpropanoic acid Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-2-methyl-propionic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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