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

Systemtic Name: [(2R)-5-ethoxy-3,5-bis(oxidanylidene)-1-phenyl-4-triphenylphosphaniumyl-pentan-2-yl]-trimethyl-azanium dibromide Openeye Name: [(1R)-1-benzyl-4-ethoxy-2,4-dioxo-3-triphenylphosphaniumyl-butyl]-trimethyl-ammonium dibromide CAS Name: [(2R)-5-ethoxy-3,5-dioxo-1-phenyl-4-triphenylphosphiniumylpentan-2-yl]-trimethylammonium dibromide IUPAC Name: [(2R)-5-ethoxy-3,5-dioxo-1-phenyl-4-triphenylphosphaniumylpentan-2-yl]-trimethylazanium dibromide Traditional Name: [(1R)-1-benzyl-4-ethoxy-2,4-diketo-3-triphenylphosphiniumyl-butyl]-trimethyl-ammonium dibromide Formula: C34H38Br2NO3P MolecularWeight: 699.452181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H38NO3P.2BrH/c1-5-38-34(37)33(32(36)31(35(2,3)4)26-27-18-10-6-11-19-27)39(28-20-12-7-13-21-28,29-22-14-8-15-23-29)30-24-16-9-17-25-30;;/h6-25,31,33H,5,26H2,1-4H3;2*1H/q+2;;/p-2/t31-,33?;;/m1../s1