4-methylbenzenesulfonic acid; 2-[(E)-(3-nitrophenyl)methylideneamino]-1-oxidanyl-guanidine

Systemtic Name: 4-methylbenzenesulfonic acid; 2-[(E)-(3-nitrophenyl)methylideneamino]-1-oxidanyl-guanidine Openeye Name: 1-hydroxy-2-[(E)-(3-nitrophenyl)methyleneamino]guanidine; 4-methylbenzenesulfonic acid CAS Name: 1-hydroxy-2-[(E)-(3-nitrophenyl)methylideneamino]guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1-hydroxy-2-[(E)-(3-nitrophenyl)methylideneamino]guanidine; 4-methylbenzenesulfonic acid Traditional Name: 1-hydroxy-2-[(E)-(3-nitrobenzylidene)amino]guanidine; tosylic acid Formula: C15H17N5O6S MolecularWeight: 395.39038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC(=C1)[N+](=O)[O-])C=NN=C(N)NO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/N=C(\N)/NO

InChI

InChI=1S/C8H9N5O3.C7H8O3S/c9-8(12-14)11-10-5-6-2-1-3-7(4-6)13(15)16;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,14H,(H3,9,11,12);2-5H,1H3,(H,8,9,10)/b10-5+;