(Z)-3-(2-azanylbenzimidazol-1-yl)-1,4-bis[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-triphenylphosphaniumyl-but-1-en-1-olate

Systemtic Name: (Z)-3-(2-azanylbenzimidazol-1-yl)-1,4-bis[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-triphenylphosphaniumyl-but-1-en-1-olate Openeye Name: (Z)-3-(2-aminobenzimidazol-1-yl)-1,4-ditert-butoxy-4-oxo-2-triphenylphosphaniumyl-but-1-en-1-olate CAS Name: (Z)-3-(2-amino-1-benzimidazolyl)-1,4-bis[(2-methylpropan-2-yl)oxy]-4-oxo-2-triphenylphosphiniumyl-1-buten-1-olate IUPAC Name: (Z)-3-(2-aminobenzimidazol-1-yl)-1,4-bis[(2-methylpropan-2-yl)oxy]-4-oxo-2-triphenylphosphaniumylbut-1-en-1-olate Traditional Name: (Z)-3-(2-aminobenzimidazol-1-yl)-1,4-ditert-butoxy-4-keto-2-triphenylphosphiniumyl-but-1-en-1-olate Formula: C37H40N3O4P MolecularWeight: 621.704961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H40N3O4P/c1-36(2,3)43-33(41)31(40-30-25-17-16-24-29(30)39-35(40)38)32(34(42)44-37(4,5)6)45(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-25,31H,1-6H3,(H2-,38,39,42)/b34-32-