2-[[(E)-(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[[(E)-(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 2-[[(E)-(3-bromo-5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-1-hydroxy-guanidine; 4-methylbenzenesulfonic acid CAS Name: 2-[[(E)-(3-bromo-5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid IUPAC Name: 2-[[(E)-(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid Traditional Name: 2-[[(E)-(3-bromo-6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-1-hydroxy-guanidine; tosylic acid Formula: C16H19BrN4O6S MolecularWeight: 475.31426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11BrN4O3.C7H8O3S/c1-17-7-3-6(10)2-5(8(7)15)4-12-13-9(11)14-16;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,12,16H,1H3,(H3,11,13,14);2-5H,1H3,(H,8,9,10)/b5-4+;