sulfuric acid; 2-[[2-(trifluoromethyl)phenyl]methyl]guanidine

Systemtic Name: sulfuric acid; 2-[[2-(trifluoromethyl)phenyl]methyl]guanidine Openeye Name: sulfuric acid; 2-[[2-(trifluoromethyl)phenyl]methyl]guanidine CAS Name: sulfuric acid; 2-[[2-(trifluoromethyl)phenyl]methyl]guanidine IUPAC Name: sulfuric acid; 2-[[2-(trifluoromethyl)phenyl]methyl]guanidine Traditional Name: sulfuric acid; 2-[2-(trifluoromethyl)benzyl]guanidine Formula: C18H22F6N6O4S MolecularWeight: 532.460499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN=C(N)N)C(F)(F)F.C1=CC=C(C(=C1)CN=C(N)N)C(F)(F)F.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CN=C(N)N)C(F)(F)F.C1=CC=C(C(=C1)CN=C(N)N)C(F)(F)F.OS(=O)(=O)O

InChI

InChI=1S/2C9H10F3N3.H2O4S/c2*10-9(11,12)7-4-2-1-3-6(7)5-15-8(13)14;1-5(2,3)4/h2*1-4H,5H2,(H4,13,14,15);(H2,1,2,3,4)