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

Systemtic Name: 2-(methylsulfonylmethyl)-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-methylsulfonyl-propanoic acid CAS Name: 2-(methylsulfonylmethyl)-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-methylsulfonylpropanoic acid Traditional Name: 2-benzyl-3-mesyl-propionic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S/c1-16(14,15)8-10(11(12)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,12,13)