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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C(=CNN(C(=N)N)O)C(=CC1=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C(=CNN(C(=N)N)O)C(=CC1=O)O)O

InChI

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