azanium 4-(2-sulfanylethanoylamino)benzoate

Systemtic Name: azanium 4-(2-sulfanylethanoylamino)benzoate Openeye Name: ammonium 4-[(2-sulfanylacetyl)amino]benzoate CAS Name: ammonium 4-[(2-mercapto-1-oxoethyl)amino]benzoate IUPAC Name: azanium 4-[(2-sulfanylacetyl)amino]benzoate Traditional Name: ammonium 4-[(2-mercaptoacetyl)amino]benzoate Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)CS.[NH4+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)CS.[NH4+]

InChI

InChI=1S/C9H9NO3S.H3N/c11-8(5-14)10-7-3-1-6(2-4-7)9(12)13;/h1-4,14H,5H2,(H,10,11)(H,12,13);1H3