[5-ethoxy-3,5-bis(oxidanylidene)-1-phenyl-4-triphenylphosphaniumyl-pentan-2-yl]azanium dibromide

Systemtic Name: [5-ethoxy-3,5-bis(oxidanylidene)-1-phenyl-4-triphenylphosphaniumyl-pentan-2-yl]azanium dibromide Openeye Name: (1-benzyl-4-ethoxy-2,4-dioxo-3-triphenylphosphaniumyl-butyl)ammonium dibromide CAS Name: (5-ethoxy-3,5-dioxo-1-phenyl-4-triphenylphosphiniumylpentan-2-yl)ammonium dibromide IUPAC Name: (5-ethoxy-3,5-dioxo-1-phenyl-4-triphenylphosphaniumylpentan-2-yl)azanium dibromide Traditional Name: (1-benzyl-4-ethoxy-2,4-diketo-3-triphenylphosphiniumyl-butyl)ammonium dibromide Formula: C31H32Br2NO3P MolecularWeight: 657.372441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C(CC1=CC=CC=C1)[NH3+])[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-].[Br-]

Isomeric SMILES

CCOC(=O)C(C(=O)C(CC1=CC=CC=C1)[NH3+])[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-].[Br-]

InChI

InChI=1S/C31H31NO3P.2BrH/c1-2-35-31(34)30(29(33)28(32)23-24-15-7-3-8-16-24)36(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27;;/h3-22,28,30H,2,23,32H2,1H3;2*1H/q+1;;/p-1