2-(2-methylpropylsulfonylmethyl)-3-phenyl-propanoic acid

Systemtic Name: 2-(2-methylpropylsulfonylmethyl)-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-isobutylsulfonyl-propanoic acid CAS Name: 2-(2-methylpropylsulfonylmethyl)-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(2-methylpropylsulfonyl)propanoic acid Traditional Name: 2-benzyl-3-isobutylsulfonyl-propionic acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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