[3,5-bis(methoxycarbonyl)phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [3,5-bis(methoxycarbonyl)phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [3,5-bis(methoxycarbonyl)phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [3,5-bis(methoxycarbonyl)phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [3,5-bis(methoxycarbonyl)phenyl]methyl-triphenylphosphanium bromide Traditional Name: (3,5-dicarbomethoxybenzyl)-triphenyl-phosphonium bromide Formula: C29H26BrO4P MolecularWeight: 549.392101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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