(2-nonoxy-5-oxidanyl-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2-nonoxy-5-oxidanyl-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (5-hydroxy-2-nonoxy-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (5-hydroxy-2-nonoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (5-hydroxy-2-nonoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (5-hydroxy-2-nonoxy-benzyl)-triphenyl-phosphonium bromide Formula: C34H40BrO2P MolecularWeight: 591.557961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C34H39O2P.BrH/c1-2-3-4-5-6-7-17-26-36-34-25-24-30(35)27-29(34)28-37(31-18-11-8-12-19-31,32-20-13-9-14-21-32)33-22-15-10-16-23-33;/h8-16,18-25,27H,2-7,17,26,28H2,1H3;1H