(4-chloranyl-3-methoxy-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-chloranyl-3-methoxy-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-chloro-3-methoxy-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-chloro-3-methoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-chloro-3-methoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-chloro-3-methoxy-benzyl)-triphenyl-phosphonium bromide Formula: C26H23BrClOP MolecularWeight: 497.790981

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Cl.[Br-]

Isomeric SMILES

COC1=C(C=CC(=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Cl.[Br-]

InChI

InChI=1S/C26H23ClOP.BrH/c1-28-26-19-21(17-18-25(26)27)20-29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-19H,20H2,1H3;1H/q+1;/p-1