1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate Openeye Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; (E)-1-ethoxy-3-oxo-but-1-en-1-olate CAS Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; (E)-1-ethoxy-3-oxo-1-buten-1-olate IUPAC Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; (E)-1-ethoxy-3-oxobut-1-en-1-olate Traditional Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; (E)-1-ethoxy-3-keto-but-1-en-1-olate Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC(=O)C)[O-].CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCO/C(=C/C(=O)C)/[O-].CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H20N3.C6H10O3/c1-18(2,3)21-14-20(16-12-8-5-9-13-16)17(19-21)15-10-6-4-7-11-15;1-3-9-6(8)4-5(2)7/h4-14H,1-3H3;4,8H,3H2,1-2H3/q+1;/p-1/b;6-4+