4-methylbenzenesulfonate; 1-oxidanyl-2-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]guanidine

Systemtic Name: 4-methylbenzenesulfonate; 1-oxidanyl-2-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]guanidine Openeye Name: 1-hydroxy-2-[(E)-[4-(trifluoromethyl)phenyl]methyleneamino]guanidine; 4-methylbenzenesulfonate CAS Name: 1-hydroxy-2-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]guanidine; 4-methylbenzenesulfonate IUPAC Name: 1-hydroxy-2-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]guanidine; 4-methylbenzenesulfonate Traditional Name: 1-hydroxy-2-[(E)-[4-(trifluoromethyl)benzylidene]amino]guanidine tosylate Formula: C16H16F3N4O4S- MolecularWeight: 417.38285

Click to see the large picture

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=C1/C=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)/p-1/b14-5+;