(3-methoxycarbonylphenyl)-diphenyl-(phenylmethyl)phosphanium bromide

Systemtic Name: (3-methoxycarbonylphenyl)-diphenyl-(phenylmethyl)phosphanium bromide Openeye Name: benzyl-(3-methoxycarbonylphenyl)-diphenyl-phosphonium bromide CAS Name: (3-methoxycarbonylphenyl)-diphenyl-(phenylmethyl)phosphonium bromide IUPAC Name: benzyl-(3-methoxycarbonylphenyl)-diphenylphosphanium bromide Traditional Name: benzyl-(3-carbomethoxyphenyl)-diphenyl-phosphonium bromide Formula: C27H24BrO2P MolecularWeight: 491.356021

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)[P+](CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)[P+](CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

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