(4-methoxycarbonylphenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-methoxycarbonylphenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-methoxycarbonylphenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-methoxycarbonylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-methoxycarbonylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-carbomethoxybenzyl)-triphenyl-phosphonium bromide Formula: C27H24BrO2P MolecularWeight: 491.356021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24O2P.BrH/c1-29-27(28)23-19-17-22(18-20-23)21-30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1