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

Systemtic Name: 2-[(E)-(6-chloranyl-2,3-dinitro-phenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 2-[(E)-(6-chloro-2,3-dinitro-phenyl)methyleneamino]-1-hydroxy-guanidine; 4-methylbenzenesulfonic acid CAS Name: 2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid IUPAC Name: 2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid Traditional Name: 2-[(E)-(6-chloro-2,3-dinitro-benzylidene)amino]-1-hydroxy-guanidine; tosylic acid Formula: C15H15ClN6O8S MolecularWeight: 474.833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7ClN6O5.C7H8O3S/c9-5-1-2-6(14(17)18)7(15(19)20)4(5)3-11-12-8(10)13-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,16H,(H3,10,12,13);2-5H,1H3,(H,8,9,10)/b11-3+;