4-(4-methylphenyl)sulfonyl-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 4-(4-methylphenyl)sulfonyl-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 7-nitro-3-oxido-4-(p-tolylsulfonyl)-2,1,3-benzoxadiazol-3-ium CAS Name: 4-(4-methylphenyl)sulfonyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-(4-methylphenyl)sulfonyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 4-nitro-1-oxido-7-tosyl-benzofurazan-1-ium Formula: C13H9N3O6S MolecularWeight: 335.29206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O6S/c1-8-2-4-9(5-3-8)23(20,21)11-7-6-10(15(17)18)12-13(11)16(19)22-14-12/h2-7H,1H3