3-[4-(oxan-2-yloxy)phenyl]propyl-triphenyl-phosphanium bromide

Systemtic Name: 3-[4-(oxan-2-yloxy)phenyl]propyl-triphenyl-phosphanium bromide Openeye Name: triphenyl-[3-(4-tetrahydropyran-2-yloxyphenyl)propyl]phosphonium bromide CAS Name: 3-[4-(2-oxanyloxy)phenyl]propyl-triphenylphosphonium bromide IUPAC Name: 3-[4-(oxan-2-yloxy)phenyl]propyl-triphenylphosphanium bromide Traditional Name: triphenyl-[3-(4-tetrahydropyran-2-yloxyphenyl)propyl]phosphonium bromide Formula: C32H34BrO2P MolecularWeight: 561.488921

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2=CC=C(C=C2)CCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1CCOC(C1)OC2=CC=C(C=C2)CCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C32H34O2P.BrH/c1-4-14-29(15-5-1)35(30-16-6-2-7-17-30,31-18-8-3-9-19-31)26-12-13-27-21-23-28(24-22-27)34-32-20-10-11-25-33-32;/h1-9,14-19,21-24,32H,10-13,20,25-26H2;1H/q+1;/p-1