[2-(3-nitro-5-oxidanylidene-1H-1,2,4-triazol-4-yl)-3-oxidanylidene-butyl]-triphenyl-phosphanium

Systemtic Name: [2-(3-nitro-5-oxidanylidene-1H-1,2,4-triazol-4-yl)-3-oxidanylidene-butyl]-triphenyl-phosphanium Openeye Name: [2-(3-nitro-5-oxo-1H-1,2,4-triazol-4-yl)-3-oxo-butyl]-triphenyl-phosphonium CAS Name: [2-(3-nitro-5-oxo-1H-1,2,4-triazol-4-yl)-3-oxobutyl]-triphenylphosphonium IUPAC Name: [2-(3-nitro-5-oxo-1H-1,2,4-triazol-4-yl)-3-oxobutyl]-triphenylphosphanium Traditional Name: [3-keto-2-(5-keto-3-nitro-1H-1,2,4-triazol-4-yl)butyl]-triphenyl-phosphonium Formula: C24H22N4O4P+ MolecularWeight: 461.429641

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=O)NN=C4[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=O)NN=C4[N+](=O)[O-]

InChI

InChI=1S/C24H21N4O4P/c1-18(29)22(27-23(28(31)32)25-26-24(27)30)17-33(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3/p+1