3-methyl-2-[2-(phenylmethyl)sulfonylethyl]butanoic acid

Systemtic Name: 3-methyl-2-[2-(phenylmethyl)sulfonylethyl]butanoic acid Openeye Name: 2-(2-benzylsulfonylethyl)-3-methyl-butanoic acid CAS Name: 3-methyl-2-[2-(phenylmethyl)sulfonylethyl]butanoic acid IUPAC Name: 2-(2-benzylsulfonylethyl)-3-methylbutanoic acid Traditional Name: 2-(2-benzylsulfonylethyl)-3-methyl-butyric acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-11(2)13(14(15)16)8-9-19(17,18)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,16)