(E)-but-2-enedioic acid; 1-[2-[4-(1H-imidazol-2-yl)butyl]-1,2,3-triazol-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine

Systemtic Name: (E)-but-2-enedioic acid; 1-[2-[4-(1H-imidazol-2-yl)butyl]-1,2,3-triazol-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine Openeye Name: fumaric acid; 1-[2-[4-(1H-imidazol-2-yl)butyl]triazol-4-yl]-2-(2,2,2-trifluoroethyl)guanidine CAS Name: (E)-2-butenedioic acid; 1-[2-[4-(1H-imidazol-2-yl)butyl]-4-triazolyl]-2-(2,2,2-trifluoroethyl)guanidine IUPAC Name: (E)-but-2-enedioic acid; 1-[2-[4-(1H-imidazol-2-yl)butyl]triazol-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Traditional Name: fumaric acid; 1-[2-[4-(1H-imidazol-2-yl)butyl]triazol-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Formula: C16H21F3N8O4 MolecularWeight: 446.38435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N1)CCCCN2N=CC(=N2)NC(=NCC(F)(F)F)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CN=C(N1)CCCCN2N=CC(=N2)NC(=NCC(F)(F)F)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H17F3N8.C4H4O4/c13-12(14,15)8-19-11(16)21-10-7-20-23(22-10)6-2-1-3-9-17-4-5-18-9;5-3(6)1-2-4(7)8/h4-5,7H,1-3,6,8H2,(H,17,18)(H3,16,19,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+