4-methylbenzenesulfonic acid; 1-oxidanyl-2-[[4-(trifluoromethyl)phenyl]methylideneamino]guanidine

Systemtic Name: 4-methylbenzenesulfonic acid; 1-oxidanyl-2-[[4-(trifluoromethyl)phenyl]methylideneamino]guanidine Openeye Name: 1-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyleneamino]guanidine; 4-methylbenzenesulfonic acid CAS Name: 1-hydroxy-2-[[4-(trifluoromethyl)phenyl]methylideneamino]guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1-hydroxy-2-[[4-(trifluoromethyl)phenyl]methylideneamino]guanidine; 4-methylbenzenesulfonic acid Traditional Name: 1-hydroxy-2-[[4-(trifluoromethyl)benzylidene]amino]guanidine; tosylic acid Formula: C16H17F3N4O4S MolecularWeight: 418.39079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C=NN=C(N)NO)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C=N/N=C(\N)/NO)C(F)(F)F

InChI

InChI=1S/C9H9F3N4O.C7H8O3S/c10-9(11,12)7-3-1-6(2-4-7)5-14-15-8(13)16-17;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,17H,(H3,13,15,16);2-5H,1H3,(H,8,9,10)