5-(oxan-2-yloxy)pentyl-triphenyl-phosphanium bromide

Systemtic Name: 5-(oxan-2-yloxy)pentyl-triphenyl-phosphanium bromide Openeye Name: triphenyl(5-tetrahydropyran-2-yloxypentyl)phosphonium bromide CAS Name: 5-(2-oxanyloxy)pentyl-triphenylphosphonium bromide IUPAC Name: 5-(oxan-2-yloxy)pentyl-triphenylphosphanium bromide Traditional Name: triphenyl(5-tetrahydropyran-2-yloxypentyl)phosphonium bromide Formula: C28H34BrO2P MolecularWeight: 513.446121

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1CCOC(C1)OCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H34O2P.BrH/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26,27-19-9-3-10-20-27)24-14-4-12-22-29-28-21-11-13-23-30-28;/h1-3,5-10,15-20,28H,4,11-14,21-24H2;1H/q+1;/p-1