(3R)-3-(2,5-dimethylphenyl)sulfonylbutanoic acid

Systemtic Name: (3R)-3-(2,5-dimethylphenyl)sulfonylbutanoic acid Openeye Name: (3R)-3-(2,5-dimethylphenyl)sulfonylbutanoic acid CAS Name: (3R)-3-(2,5-dimethylphenyl)sulfonylbutanoic acid IUPAC Name: (3R)-3-(2,5-dimethylphenyl)sulfonylbutanoic acid Traditional Name: (3R)-3-(2,5-dimethylphenyl)sulfonylbutyric 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)C(C)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)[C@H](C)CC(=O)O

InChI

InChI=1S/C12H16O4S/c1-8-4-5-9(2)11(6-8)17(15,16)10(3)7-12(13)14/h4-6,10H,7H2,1-3H3,(H,13,14)/t10-/m1/s1