[2,6-bis(chloranyl)-3-methoxycarbonyl-phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [2,6-bis(chloranyl)-3-methoxycarbonyl-phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: (2,6-dichloro-3-methoxycarbonyl-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2,6-dichloro-3-methoxycarbonylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2,6-dichloro-3-methoxycarbonylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (3-carbomethoxy-2,6-dichloro-benzyl)-triphenyl-phosphonium bromide Formula: C27H22BrCl2O2P MolecularWeight: 560.246141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22Cl2O2P.BrH/c1-31-27(30)23-17-18-25(28)24(26(23)29)19-32(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-18H,19H2,1H3;1H/q+1;/p-1