2-(2,5-dimethylphenyl)sulfonylethanoic acid

Systemtic Name: 2-(2,5-dimethylphenyl)sulfonylethanoic acid Openeye Name: 2-(2,5-dimethylphenyl)sulfonylacetic acid CAS Name: 2-(2,5-dimethylphenyl)sulfonylacetic acid IUPAC Name: 2-(2,5-dimethylphenyl)sulfonylacetic acid Traditional Name: 2-(2,5-dimethylphenyl)sulfonylacetic acid Formula: C10H12O4S MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O4S/c1-7-3-4-8(2)9(5-7)15(13,14)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)