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

Systemtic Name: [(2R)-5-ethoxy-3,5-bis(oxidanylidene)-4-triphenylphosphaniumyl-pentan-2-yl]azanium dibromide Openeye Name: [(1R)-4-ethoxy-1-methyl-2,4-dioxo-3-triphenylphosphaniumyl-butyl]ammonium dibromide CAS Name: [(2R)-5-ethoxy-3,5-dioxo-4-triphenylphosphiniumylpentan-2-yl]ammonium dibromide IUPAC Name: [(2R)-5-ethoxy-3,5-dioxo-4-triphenylphosphaniumylpentan-2-yl]azanium dibromide Traditional Name: [(1R)-4-ethoxy-2,4-diketo-1-methyl-3-triphenylphosphiniumyl-butyl]ammonium dibromide Formula: C25H28Br2NO3P MolecularWeight: 581.276481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3P.2BrH/c1-3-29-25(28)24(23(27)19(2)26)30(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;;/h4-19,24H,3,26H2,1-2H3;2*1H/q+1;;/p-1/t19-,24?;;/m1../s1