3-[(5-azanyl-2-sulfonato-phenyl)amino]propanoate

Systemtic Name: 3-[(5-azanyl-2-sulfonato-phenyl)amino]propanoate Openeye Name: 3-(5-amino-2-sulfonato-anilino)propanoate CAS Name: 3-(5-amino-2-sulfonatoanilino)propanoate IUPAC Name: 3-(5-amino-2-sulfonatoanilino)propanoate Traditional Name: 3-(5-amino-2-sulfonato-anilino)propionate Formula: C9H10N2O5S-2 MolecularWeight: 258.2511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)NCCC(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N)NCCC(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C9H12N2O5S/c10-6-1-2-8(17(14,15)16)7(5-6)11-4-3-9(12)13/h1-2,5,11H,3-4,10H2,(H,12,13)(H,14,15,16)/p-2