azane; 2-azanyl-3-(4-sulfooxyphenyl)propanoic acid

Systemtic Name: azane; 2-azanyl-3-(4-sulfooxyphenyl)propanoic acid Openeye Name: 2-amino-3-(4-sulfooxyphenyl)propanoic acid; ammonia CAS Name: 2-amino-3-(4-sulfooxyphenyl)propanoic acid; ammonia IUPAC Name: 2-amino-3-(4-sulfooxyphenyl)propanoic acid; azane Traditional Name: 2-amino-3-(4-sulfoxyphenyl)propionic acid; ammonia Formula: C9H14N2O6S MolecularWeight: 278.28226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)OS(=O)(=O)O.N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)OS(=O)(=O)O.N

InChI

InChI=1S/C9H11NO6S.H3N/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15;/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15);1H3