2-[(3-phenyl-2-sulfo-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[(3-phenyl-2-sulfo-propanoyl)amino]ethanoic acid Openeye Name: 2-[(3-phenyl-2-sulfo-propanoyl)amino]acetic acid CAS Name: 2-[(1-oxo-3-phenyl-2-sulfopropyl)amino]acetic acid IUPAC Name: 2-[(3-phenyl-2-sulfopropanoyl)amino]acetic acid Traditional Name: 2-[(3-phenyl-2-sulfo-propanoyl)amino]acetic acid Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO6S/c13-10(14)7-12-11(15)9(19(16,17)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,15)(H,13,14)(H,16,17,18)