triphenyl-[(2-propanoyloxyphenyl)methyl]phosphanium bromide

Systemtic Name: triphenyl-[(2-propanoyloxyphenyl)methyl]phosphanium bromide Openeye Name: triphenyl-[(2-propanoyloxyphenyl)methyl]phosphonium bromide CAS Name: [2-(1-oxopropoxy)phenyl]methyl-triphenylphosphonium bromide IUPAC Name: triphenyl-[(2-propanoyloxyphenyl)methyl]phosphanium bromide Traditional Name: triphenyl-(2-propionyloxybenzyl)phosphonium bromide Formula: C28H26BrO2P MolecularWeight: 505.382601

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCC(=O)OC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H26O2P.BrH/c1-2-28(29)30-27-21-13-12-14-23(27)22-31(24-15-6-3-7-16-24,25-17-8-4-9-18-25)26-19-10-5-11-20-26;/h3-21H,2,22H2,1H3;1H/q+1;/p-1