(2-hexoxyphenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2-hexoxyphenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-hexoxyphenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2-hexoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2-hexoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (2-hexoxybenzyl)-triphenyl-phosphonium bromide Formula: C31H34BrOP MolecularWeight: 533.478821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C31H34OP.BrH/c1-2-3-4-16-25-32-31-24-15-14-17-27(31)26-33(28-18-8-5-9-19-28,29-20-10-6-11-21-29)30-22-12-7-13-23-30;/h5-15,17-24H,2-4,16,25-26H2,1H3;1H/q+1;/p-1