azanylidyneazanium; 4-methylbenzenesulfonate; 4-nitrophenol

Systemtic Name: azanylidyneazanium; 4-methylbenzenesulfonate; 4-nitrophenol Openeye Name: 4-methylbenzenesulfonate; nitridoammonium; 4-nitrophenol CAS Name: 4-methylbenzenesulfonate; nitriloammonium; 4-nitrophenol IUPAC Name: azanylidyneazanium; 4-methylbenzenesulfonate; 4-nitrophenol Traditional Name: nitriloammonium; 4-nitrophenol; tosylate Formula: C13H13N3O6S MolecularWeight: 339.32382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H5NO3.N2/c1-6-2-4-7(5-3-6)11(8,9)10;8-6-3-1-5(2-4-6)7(9)10;1-2/h2-5H,1H3,(H,8,9,10);1-4,8H;