1-(3-methoxyphenyl)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 1-(3-methoxyphenyl)ethyl-triphenyl-phosphanium bromide Openeye Name: 1-(3-methoxyphenyl)ethyl-triphenyl-phosphonium bromide CAS Name: 1-(3-methoxyphenyl)ethyl-triphenylphosphonium bromide IUPAC Name: 1-(3-methoxyphenyl)ethyl-triphenylphosphanium bromide Traditional Name: 1-(3-methoxyphenyl)ethyl-triphenyl-phosphonium bromide Formula: C27H26BrOP MolecularWeight: 477.372501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26OP.BrH/c1-22(23-13-12-14-24(21-23)28-2)29(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27;/h3-22H,1-2H3;1H/q+1;/p-1