(4-butoxyphenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-butoxyphenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-butoxyphenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-butoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-butoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-butoxybenzyl)-triphenyl-phosphonium bromide Formula: C29H30BrOP MolecularWeight: 505.425661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C29H30OP.BrH/c1-2-3-23-30-26-21-19-25(20-22-26)24-31(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29;/h4-22H,2-3,23-24H2,1H3;1H/q+1;/p-1