tris(4-chlorophenyl)-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phosphanium bromide

Systemtic Name: tris(4-chlorophenyl)-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phosphanium bromide Openeye Name: tris(4-chlorophenyl)-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]phosphonium bromide CAS Name: tris(4-chlorophenyl)-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphonium bromide IUPAC Name: tris(4-chlorophenyl)-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphanium bromide Traditional Name: tris(4-chlorophenyl)-(3,5-ditert-butyl-4-hydroxy-benzyl)phosphonium bromide Formula: C33H35BrCl3OP MolecularWeight: 664.867161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[P+](C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[P+](C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C33H34Cl3OP.BrH/c1-32(2,3)29-19-22(20-30(31(29)37)33(4,5)6)21-38(26-13-7-23(34)8-14-26,27-15-9-24(35)10-16-27)28-17-11-25(36)12-18-28;/h7-20H,21H2,1-6H3;1H