4-methylbenzenesulfonic acid; 2-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-oxidanyl-guanidine

Systemtic Name: 4-methylbenzenesulfonic acid; 2-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-oxidanyl-guanidine Openeye Name: 1-hydroxy-2-[(E)-(5-nitro-2-furyl)methyleneamino]guanidine; 4-methylbenzenesulfonic acid CAS Name: 1-hydroxy-2-[(E)-(5-nitro-2-furanyl)methylideneamino]guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1-hydroxy-2-[(E)-(5-nitrofuran-2-yl)methylideneamino]guanidine; 4-methylbenzenesulfonic acid Traditional Name: 1-hydroxy-2-[(E)-(5-nitro-2-furyl)methyleneamino]guanidine; tosylic acid Formula: C13H15N5O7S MolecularWeight: 385.3525

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H7N5O4/c1-6-2-4-7(5-3-6)11(8,9)10;7-6(10-12)9-8-3-4-1-2-5(15-4)11(13)14/h2-5H,1H3,(H,8,9,10);1-3,12H,(H3,7,9,10)/b;8-3+