[2,5-bis(methoxycarbonyl)phenyl]-diphenyl-(phenylmethyl)phosphanium bromide

Systemtic Name: [2,5-bis(methoxycarbonyl)phenyl]-diphenyl-(phenylmethyl)phosphanium bromide Openeye Name: benzyl-[2,5-bis(methoxycarbonyl)phenyl]-diphenyl-phosphonium bromide CAS Name: [2,5-bis(methoxycarbonyl)phenyl]-diphenyl-(phenylmethyl)phosphonium bromide IUPAC Name: benzyl-[2,5-bis(methoxycarbonyl)phenyl]-diphenylphosphanium bromide Traditional Name: benzyl-(2,5-dicarbomethoxyphenyl)-diphenyl-phosphonium bromide Formula: C29H26BrO4P MolecularWeight: 549.392101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26O4P.BrH/c1-32-28(30)23-18-19-26(29(31)33-2)27(20-23)34(24-14-8-4-9-15-24,25-16-10-5-11-17-25)21-22-12-6-3-7-13-22;/h3-20H,21H2,1-2H3;1H/q+1;/p-1