(Z)-3-(2-azanylbenzimidazol-1-yl)-1,4-diethoxy-4-oxidanylidene-2-triphenylphosphaniumyl-but-1-en-1-olate

Systemtic Name: (Z)-3-(2-azanylbenzimidazol-1-yl)-1,4-diethoxy-4-oxidanylidene-2-triphenylphosphaniumyl-but-1-en-1-olate Openeye Name: (Z)-3-(2-aminobenzimidazol-1-yl)-1,4-diethoxy-4-oxo-2-triphenylphosphaniumyl-but-1-en-1-olate CAS Name: (Z)-3-(2-amino-1-benzimidazolyl)-1,4-diethoxy-4-oxo-2-triphenylphosphiniumyl-1-buten-1-olate IUPAC Name: (Z)-3-(2-aminobenzimidazol-1-yl)-1,4-diethoxy-4-oxo-2-triphenylphosphaniumylbut-1-en-1-olate Traditional Name: (Z)-3-(2-aminobenzimidazol-1-yl)-1,4-diethoxy-4-keto-2-triphenylphosphiniumyl-but-1-en-1-olate Formula: C33H32N3O4P MolecularWeight: 565.598641

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=C([O-])OCC)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C5=CC=CC=C5N=C4N

Isomeric SMILES

CCOC(=O)C(/C(=C(\[O-])/OCC)/[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C5=CC=CC=C5N=C4N

InChI

InChI=1S/C33H32N3O4P/c1-3-39-31(37)29(36-28-23-15-14-22-27(28)35-33(36)34)30(32(38)40-4-2)41(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-23,29H,3-4H2,1-2H3,(H2-,34,35,38)/b32-30-