(2-methyl-3-octoxy-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2-methyl-3-octoxy-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-methyl-3-octoxy-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2-methyl-3-octoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2-methyl-3-octoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (2-methyl-3-octoxy-benzyl)-triphenyl-phosphonium bromide Formula: C34H40BrOP MolecularWeight: 575.558561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC(=C1C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCCCCCOC1=CC=CC(=C1C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C34H40OP.BrH/c1-3-4-5-6-7-17-27-35-34-26-18-19-30(29(34)2)28-36(31-20-11-8-12-21-31,32-22-13-9-14-23-32)33-24-15-10-16-25-33;/h8-16,18-26H,3-7,17,27-28H2,1-2H3;1H/q+1;/p-1