4-methylbenzenesulfonic acid; 2-[[(Z)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-1-oxidanyl-guanidine

Systemtic Name: 4-methylbenzenesulfonic acid; 2-[[(Z)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-1-oxidanyl-guanidine Openeye Name: 1-hydroxy-2-[[(Z)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]guanidine; 4-methylbenzenesulfonic acid CAS Name: 1-hydroxy-2-[[(Z)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1-hydroxy-2-[[(Z)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]guanidine; 4-methylbenzenesulfonic acid Traditional Name: 1-hydroxy-2-[[(Z)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]guanidine; tosylic acid Formula: C15H17N5O7S MolecularWeight: 411.38978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N5O4.C7H8O3S/c9-8(12-15)11-10-4-5-3-6(13(16)17)1-2-7(5)14;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,10,15H,(H3,9,11,12);2-5H,1H3,(H,8,9,10)/b5-4-;