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

Systemtic Name: 2-acetamido-3-[2-methoxy-4-(sulfomethyl)phenyl]propanoic acid Openeye Name: 2-acetamido-3-[2-methoxy-4-(sulfomethyl)phenyl]propanoic acid CAS Name: 2-acetamido-3-[2-methoxy-4-(sulfomethyl)phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[2-methoxy-4-(sulfomethyl)phenyl]propanoic acid Traditional Name: 2-acetamido-3-[2-methoxy-4-(sulfomethyl)phenyl]propionic acid Formula: C13H17NO7S MolecularWeight: 331.34158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO7S/c1-8(15)14-11(13(16)17)6-10-4-3-9(5-12(10)21-2)7-22(18,19)20/h3-5,11H,6-7H2,1-2H3,(H,14,15)(H,16,17)(H,18,19,20)