3-acetamido-2-(3-methylsulfonyloxyphenyl)propanoic acid

Systemtic Name: 3-acetamido-2-(3-methylsulfonyloxyphenyl)propanoic acid Openeye Name: 3-acetamido-2-(3-methylsulfonyloxyphenyl)propanoic acid CAS Name: 3-acetamido-2-(3-methylsulfonyloxyphenyl)propanoic acid IUPAC Name: 3-acetamido-2-(3-methylsulfonyloxyphenyl)propanoic acid Traditional Name: 3-acetamido-2-(3-methylsulfonyloxyphenyl)propionic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C1=CC(=CC=C1)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(=O)NCC(C1=CC(=CC=C1)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H15NO6S/c1-8(14)13-7-11(12(15)16)9-4-3-5-10(6-9)19-20(2,17)18/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16)