(8-bromanyl-4,6-ditert-butyl-phenanthren-1-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (8-bromanyl-4,6-ditert-butyl-phenanthren-1-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (8-bromo-4,6-ditert-butyl-1-phenanthryl)methyl-triphenyl-phosphonium bromide CAS Name: (8-bromo-4,6-ditert-butyl-1-phenanthrenyl)methyl-triphenylphosphonium bromide IUPAC Name: (8-bromo-4,6-ditert-butylphenanthren-1-yl)methyl-triphenylphosphanium bromide Traditional Name: (8-bromo-4,6-ditert-butyl-1-phenanthryl)methyl-triphenyl-phosphonium bromide Formula: C41H41Br2P MolecularWeight: 724.546001

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=C(C=C1)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=CC6=C(C=C(C=C62)C(C)(C)C)Br.[Br-]

Isomeric SMILES

CC(C)(C)C1=C2C(=C(C=C1)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=CC6=C(C=C(C=C62)C(C)(C)C)Br.[Br-]

InChI

InChI=1S/C41H41BrP.BrH/c1-40(2,3)30-26-36-35(38(42)27-30)24-23-34-29(22-25-37(39(34)36)41(4,5)6)28-43(31-16-10-7-11-17-31,32-18-12-8-13-19-32)33-20-14-9-15-21-33;/h7-27H,28H2,1-6H3;1H/q+1;/p-1