4-[2-(4-chlorophenyl)ethoxy]-2-methylsulfonyl-butanoic acid

Systemtic Name: 4-[2-(4-chlorophenyl)ethoxy]-2-methylsulfonyl-butanoic acid Openeye Name: 4-[2-(4-chlorophenyl)ethoxy]-2-methylsulfonyl-butanoic acid CAS Name: 4-[2-(4-chlorophenyl)ethoxy]-2-methylsulfonylbutanoic acid IUPAC Name: 4-[2-(4-chlorophenyl)ethoxy]-2-methylsulfonylbutanoic acid Traditional Name: 4-[2-(4-chlorophenyl)ethoxy]-2-mesyl-butyric acid Formula: C13H17ClO5S MolecularWeight: 320.78908

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(CCOCCC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CS(=O)(=O)C(CCOCCC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C13H17ClO5S/c1-20(17,18)12(13(15)16)7-9-19-8-6-10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3,(H,15,16)