2-[[(E)-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[[(E)-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 1-hydroxy-2-[[(E)-(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]guanidine; 4-methylbenzenesulfonic acid CAS Name: 1-hydroxy-2-[[(E)-(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1-hydroxy-2-[[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]guanidine; 4-methylbenzenesulfonic acid Traditional Name: 1-hydroxy-2-[[(E)-(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]amino]guanidine; tosylic acid Formula: C16H20N4O6S MolecularWeight: 396.4182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC(=CNN=C(N)NO)C1=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C/C(=C\N/N=C(/N)\NO)/C1=O

InChI

InChI=1S/C9H12N4O3.C7H8O3S/c1-16-7-4-2-3-6(8(7)14)5-11-12-9(10)13-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,11,15H,1H3,(H3,10,12,13);2-5H,1H3,(H,8,9,10)/b6-5+;