(2-bromanyl-4-tert-butyl-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2-bromanyl-4-tert-butyl-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-bromo-4-tert-butyl-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2-bromo-4-tert-butylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2-bromo-4-tert-butylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (2-bromo-4-tert-butyl-benzyl)-triphenyl-phosphonium bromide Formula: C29H29Br2P MolecularWeight: 568.322321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29BrP.BrH/c1-29(2,3)24-20-19-23(28(30)21-24)22-31(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27;/h4-21H,22H2,1-3H3;1H/q+1;/p-1