(E,3E)-3-diazo-1-diazonio-prop-1-en-2-olate; (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: (E,3E)-3-diazo-1-diazonio-prop-1-en-2-olate; (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: (E,3E)-3-diazo-1-diazonio-prop-1-en-2-olate; (2S)-2-(p-tolylsulfonylamino)propanoic acid CAS Name: (E,3E)-3-diazo-1-diazonio-1-propen-2-olate; (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: (E,3E)-3-diazo-1-diazonioprop-1-en-2-olate; (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: (E,3E)-3-diazo-1-diazonio-prop-1-en-2-olate; (2S)-2-(tosylamino)propionic acid Formula: C13H15N5O5S MolecularWeight: 353.3537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)O.C(=C(C=[N+]=[N-])[O-])[N+]#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)O.C(=C(\C=[N+]=[N-])/[O-])\[N+]#N

InChI

InChI=1S/C10H13NO4S.C3H2N4O/c1-7-3-5-9(6-4-7)16(14,15)11-8(2)10(12)13;4-6-1-3(8)2-7-5/h3-6,8,11H,1-2H3,(H,12,13);1-2H/b;3-1+/t8-;/m0./s1