3-(3,4-dimethylphenyl)sulfonylpropanoic acid

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonylpropanoic acid Openeye Name: 3-(3,4-dimethylphenyl)sulfonylpropanoic acid CAS Name: 3-(3,4-dimethylphenyl)sulfonylpropanoic acid IUPAC Name: 3-(3,4-dimethylphenyl)sulfonylpropanoic acid Traditional Name: 3-(3,4-dimethylphenyl)sulfonylpropionic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S/c1-8-3-4-10(7-9(8)2)16(14,15)6-5-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)