1-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-4-ium-3-yl]-1,3-diethoxy-3-oxidanylidene-propan-1-olate

Systemtic Name: 1-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-4-ium-3-yl]-1,3-diethoxy-3-oxidanylidene-propan-1-olate Openeye Name: 1-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-4-ium-3-yl]-1,3-diethoxy-3-oxo-propan-1-olate CAS Name: 1-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-4-ium-3-yl]-1,3-diethoxy-3-oxo-1-propanolate IUPAC Name: 1-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-4-ium-3-yl]-1,3-diethoxy-3-oxopropan-1-olate Traditional Name: 1-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-4-ium-3-yl]-1,3-diethoxy-3-keto-propan-1-olate Formula: C25H30FN3O4 MolecularWeight: 455.521803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=[N+](C(=NN1C(C)(C)C)C2=CC=CC=C2)C3=CC=C(C=C3)F)([O-])OCC

Isomeric SMILES

CCOC(=O)CC(C1=[N+](C(=NN1C(C)(C)C)C2=CC=CC=C2)C3=CC=C(C=C3)F)([O-])OCC

InChI

InChI=1S/C25H30FN3O4/c1-6-32-21(30)17-25(31,33-7-2)23-28(20-15-13-19(26)14-16-20)22(18-11-9-8-10-12-18)27-29(23)24(3,4)5/h8-16H,6-7,17H2,1-5H3