(2-oxidanyl-3-phenoxy-propyl)-triphenyl-phosphanium bromide

Systemtic Name: (2-oxidanyl-3-phenoxy-propyl)-triphenyl-phosphanium bromide Openeye Name: (2-hydroxy-3-phenoxy-propyl)-triphenyl-phosphonium bromide CAS Name: (2-hydroxy-3-phenoxypropyl)-triphenylphosphonium bromide IUPAC Name: (2-hydroxy-3-phenoxypropyl)-triphenylphosphanium bromide Traditional Name: (2-hydroxy-3-phenoxy-propyl)-triphenyl-phosphonium bromide Formula: C27H26BrO2P MolecularWeight: 493.371901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)OCC(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C27H26O2P.BrH/c28-23(21-29-24-13-5-1-6-14-24)22-30(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27;/h1-20,23,28H,21-22H2;1H/q+1;/p-1