1,2-bis[3,5-bis(trifluoromethyl)phenyl]guanidine hydrochloride

Systemtic Name: 1,2-bis[3,5-bis(trifluoromethyl)phenyl]guanidine hydrochloride Openeye Name: 1,2-bis[3,5-bis(trifluoromethyl)phenyl]guanidine hydrochloride CAS Name: 1,2-bis[3,5-bis(trifluoromethyl)phenyl]guanidine hydrochloride IUPAC Name: 1,2-bis[3,5-bis(trifluoromethyl)phenyl]guanidine hydrochloride Traditional Name: 1,2-bis[3,5-bis(trifluoromethyl)phenyl]guanidine hydrochloride Formula: C17H10ClF12N3 MolecularWeight: 519.715238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)NC(=NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N)C(F)(F)F.Cl

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)NC(=NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N)C(F)(F)F.Cl

InChI

InChI=1S/C17H9F12N3.ClH/c18-14(19,20)7-1-8(15(21,22)23)4-11(3-7)31-13(30)32-12-5-9(16(24,25)26)2-10(6-12)17(27,28)29;/h1-6H,(H3,30,31,32);1H