[2-(2,2-dimethyloctoxy)phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [2-(2,2-dimethyloctoxy)phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-(2,2-dimethyloctoxy)phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [2-(2,2-dimethyloctoxy)phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [2-(2,2-dimethyloctoxy)phenyl]methyl-triphenylphosphanium bromide Traditional Name: [2-(2,2-dimethyloctoxy)benzyl]-triphenyl-phosphonium bromide Formula: C35H42BrOP MolecularWeight: 589.585141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)COC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCCCC(C)(C)COC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C35H42OP.BrH/c1-4-5-6-18-27-35(2,3)29-36-34-26-17-16-19-30(34)28-37(31-20-10-7-11-21-31,32-22-12-8-13-23-32)33-24-14-9-15-25-33;/h7-17,19-26H,4-6,18,27-29H2,1-3H3;1H/q+1;/p-1