4-methylbenzenesulfonic acid; 1-oxidanyl-2-[(E)-(4-phenylphenyl)methylideneamino]guanidine

Systemtic Name: 4-methylbenzenesulfonic acid; 1-oxidanyl-2-[(E)-(4-phenylphenyl)methylideneamino]guanidine Openeye Name: 1-hydroxy-2-[(E)-(4-phenylphenyl)methyleneamino]guanidine; 4-methylbenzenesulfonic acid CAS Name: 1-hydroxy-2-[(E)-(4-phenylphenyl)methylideneamino]guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1-hydroxy-2-[(E)-(4-phenylphenyl)methylideneamino]guanidine; 4-methylbenzenesulfonic acid Traditional Name: 1-hydroxy-2-[(E)-(4-phenylbenzylidene)amino]guanidine; tosylic acid Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C2=CC=C(C=C2)C=NN=C(N)NO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/N=C(/N)\NO

InChI

InChI=1S/C14H14N4O.C7H8O3S/c15-14(18-19)17-16-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,19H,(H3,15,17,18);2-5H,1H3,(H,8,9,10)/b16-10+;