3-[(3-chlorophenyl)-(2-oxidanyl-3-sulfo-propyl)amino]propanoic acid

Systemtic Name: 3-[(3-chlorophenyl)-(2-oxidanyl-3-sulfo-propyl)amino]propanoic acid Openeye Name: 3-(3-chloro-N-(2-hydroxy-3-sulfo-propyl)anilino)propanoic acid CAS Name: 3-(3-chloro-N-(2-hydroxy-3-sulfopropyl)anilino)propanoic acid IUPAC Name: 3-(3-chloro-N-(2-hydroxy-3-sulfopropyl)anilino)propanoic acid Traditional Name: 3-(3-chloro-N-(2-hydroxy-3-sulfo-propyl)anilino)propionic acid Formula: C12H16ClNO6S MolecularWeight: 337.77654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N(CCC(=O)O)CC(CS(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N(CCC(=O)O)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C12H16ClNO6S/c13-9-2-1-3-10(6-9)14(5-4-12(16)17)7-11(15)8-21(18,19)20/h1-3,6,11,15H,4-5,7-8H2,(H,16,17)(H,18,19,20)