2-[(E)-(3-methoxy-2,6-dinitro-phenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[(E)-(3-methoxy-2,6-dinitro-phenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 1-hydroxy-2-[(E)-(3-methoxy-2,6-dinitro-phenyl)methyleneamino]guanidine; 4-methylbenzenesulfonic acid CAS Name: 1-hydroxy-2-[(E)-(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1-hydroxy-2-[(E)-(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine; 4-methylbenzenesulfonic acid Traditional Name: 1-hydroxy-2-[(E)-(3-methoxy-2,6-dinitro-benzylidene)amino]guanidine; tosylic acid Formula: C16H18N6O9S MolecularWeight: 470.41392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C=C1)[N+](=O)[O-])C=NN=C(N)NO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C=C1)[N+](=O)[O-])/C=N/N=C(/N)\NO)[N+](=O)[O-]

InChI

InChI=1S/C9H10N6O6.C7H8O3S/c1-21-7-3-2-6(14(17)18)5(8(7)15(19)20)4-11-12-9(10)13-16;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,16H,1H3,(H3,10,12,13);2-5H,1H3,(H,8,9,10)/b11-4+;