3,3-di(propan-2-yloxy)propyl-triphenyl-phosphanium bromide

Systemtic Name: 3,3-di(propan-2-yloxy)propyl-triphenyl-phosphanium bromide Openeye Name: 3,3-diisopropoxypropyl(triphenyl)phosphonium bromide CAS Name: 3,3-di(propan-2-yloxy)propyl-triphenylphosphonium bromide IUPAC Name: 3,3-di(propan-2-yloxy)propyl-triphenylphosphanium bromide Traditional Name: 3,3-diisopropoxypropyl(triphenyl)phosphonium bromide Formula: C27H34BrO2P MolecularWeight: 501.435421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(C)C.[Br-]

Isomeric SMILES

CC(C)OC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(C)C.[Br-]

InChI

InChI=1S/C27H34O2P.BrH/c1-22(2)28-27(29-23(3)4)20-21-30(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26;/h5-19,22-23,27H,20-21H2,1-4H3;1H/q+1;/p-1