[3-(4-chlorophenyl)-3-oxidanyl-propyl]-triphenyl-phosphanium bromide

Systemtic Name: [3-(4-chlorophenyl)-3-oxidanyl-propyl]-triphenyl-phosphanium bromide Openeye Name: [3-(4-chlorophenyl)-3-hydroxy-propyl]-triphenyl-phosphonium bromide CAS Name: [3-(4-chlorophenyl)-3-hydroxypropyl]-triphenylphosphonium bromide IUPAC Name: [3-(4-chlorophenyl)-3-hydroxypropyl]-triphenylphosphanium bromide Traditional Name: [3-(4-chlorophenyl)-3-hydroxy-propyl]-triphenyl-phosphonium bromide Formula: C27H25BrClOP MolecularWeight: 511.817561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClOP.BrH/c28-23-18-16-22(17-19-23)27(29)20-21-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;/h1-19,27,29H,20-21H2;1H/q+1;/p-1