2-[[2,6-bis(oxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]methylamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[[2,6-bis(oxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]methylamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 2-[(2,6-dihydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-1-hydroxy-guanidine; 4-methylbenzenesulfonic acid CAS Name: 2-[(2,6-dihydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid IUPAC Name: 2-[(2,6-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid Traditional Name: 2-[(2,6-dihydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-1-hydroxy-guanidine; tosylic acid Formula: C15H18N4O7S MolecularWeight: 398.39102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C(=CNN=C(N)NO)C(=CC1=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C(=CN/N=C(\N)/NO)C(=CC1=O)O)O

InChI

InChI=1S/C8H10N4O4.C7H8O3S/c9-8(12-16)11-10-3-5-6(14)1-4(13)2-7(5)15;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,10,14-16H,(H3,9,11,12);2-5H,1H3,(H,8,9,10)