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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=O)C(=CNN(C(=N)N)O)C=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=O)/C(=C\NN(C(=N)N)O)/C=C1

InChI

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