2-acetamido-3-[4-(sulfomethyl)phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[4-(sulfomethyl)phenyl]propanoic acid Openeye Name: 2-acetamido-3-[4-(sulfomethyl)phenyl]propanoic acid CAS Name: 2-acetamido-3-[4-(sulfomethyl)phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-(sulfomethyl)phenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-(sulfomethyl)phenyl]propionic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6S/c1-8(14)13-11(12(15)16)6-9-2-4-10(5-3-9)7-20(17,18)19/h2-5,11H,6-7H2,1H3,(H,13,14)(H,15,16)(H,17,18,19)