4-methylbenzenesulfonic acid; 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-oxidanyl-guanidine

Systemtic Name: 4-methylbenzenesulfonic acid; 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-oxidanyl-guanidine Openeye Name: 1-hydroxy-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]guanidine; 4-methylbenzenesulfonic acid CAS Name: 1-hydroxy-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1-hydroxy-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]guanidine; 4-methylbenzenesulfonic acid Traditional Name: 1-hydroxy-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]guanidine; tosylic acid Formula: C16H17N5O8S MolecularWeight: 439.39988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1OC2=C(O1)C=C(C(=C2)C=NN=C(N)NO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1OC2=C(O1)C=C(C(=C2)/C=N/N=C(/N)\NO)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O5.C7H8O3S/c10-9(13-15)12-11-3-5-1-7-8(19-4-18-7)2-6(5)14(16)17;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,15H,4H2,(H3,10,12,13);2-5H,1H3,(H,8,9,10)/b11-3+;