(4-pentylphenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-pentylphenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-pentylphenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-pentylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-pentylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-amylbenzyl)-triphenyl-phosphonium bromide Formula: C30H32BrP MolecularWeight: 503.452841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C30H32P.BrH/c1-2-3-7-14-26-21-23-27(24-22-26)25-31(28-15-8-4-9-16-28,29-17-10-5-11-18-29)30-19-12-6-13-20-30;/h4-6,8-13,15-24H,2-3,7,14,25H2,1H3;1H/q+1;/p-1