(2-butoxyphenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2-butoxyphenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-butoxyphenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2-butoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2-butoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (2-butoxybenzyl)-triphenyl-phosphonium bromide Formula: C29H30BrOP MolecularWeight: 505.425661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCOC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

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