3-methyl-2-(phenylmethyl)sulfonyl-butanoic acid

Systemtic Name: 3-methyl-2-(phenylmethyl)sulfonyl-butanoic acid Openeye Name: 2-benzylsulfonyl-3-methyl-butanoic acid CAS Name: 3-methyl-2-(phenylmethyl)sulfonylbutanoic acid IUPAC Name: 2-benzylsulfonyl-3-methylbutanoic acid Traditional Name: 2-benzylsulfonyl-3-methyl-butyric acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-9(2)11(12(13)14)17(15,16)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)