(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-trioctyl-phosphanium bromide

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-trioctyl-phosphanium bromide Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)methyl-trioctyl-phosphonium bromide CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-trioctylphosphonium bromide IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-trioctylphosphanium bromide Traditional Name: (3,5-ditert-butyl-4-hydroxy-benzyl)-trioctyl-phosphonium bromide Formula: C39H74BrOP MolecularWeight: 669.882021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.[Br-]

InChI

InChI=1S/C39H73OP.BrH/c1-10-13-16-19-22-25-28-41(29-26-23-20-17-14-11-2,30-27-24-21-18-15-12-3)33-34-31-35(38(4,5)6)37(40)36(32-34)39(7,8)9;/h31-32H,10-30,33H2,1-9H3;1H