8-(oxan-2-yloxy)octyl-triphenyl-phosphanium bromide

Systemtic Name: 8-(oxan-2-yloxy)octyl-triphenyl-phosphanium bromide Openeye Name: triphenyl(8-tetrahydropyran-2-yloxyoctyl)phosphonium bromide CAS Name: 8-(2-oxanyloxy)octyl-triphenylphosphonium bromide IUPAC Name: 8-(oxan-2-yloxy)octyl-triphenylphosphanium bromide Traditional Name: triphenyl(8-tetrahydropyran-2-yloxyoctyl)phosphonium bromide Formula: C31H40BrO2P MolecularWeight: 555.525861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40O2P.BrH/c1(3-15-25-32-31-24-14-16-26-33-31)2-4-17-27-34(28-18-8-5-9-19-28,29-20-10-6-11-21-29)30-22-12-7-13-23-30;/h5-13,18-23,31H,1-4,14-17,24-27H2;1H/q+1;/p-1