3-acetamido-5-diazonio-4-methyl-benzenesulfonate

Systemtic Name: 3-acetamido-5-diazonio-4-methyl-benzenesulfonate Openeye Name: 3-acetamido-5-diazonio-4-methyl-benzenesulfonate CAS Name: 3-acetamido-5-diazonio-4-methylbenzenesulfonate IUPAC Name: 3-acetamido-5-diazonio-4-methylbenzenesulfonate Traditional Name: 3-acetamido-5-diazonio-4-methyl-besylate Formula: C9H9N3O4S MolecularWeight: 255.25046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O4S/c1-5-8(11-6(2)13)3-7(17(14,15)16)4-9(5)12-10/h3-4H,1-2H3,(H-,11,13,14,15,16)