1,1'-biphenyl; [3-tert-butyl-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-methyl-phenyl]methyl-phenyl-phosphanium; bromide

Systemtic Name: 1,1'-biphenyl; [3-tert-butyl-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-methyl-phenyl]methyl-phenyl-phosphanium; bromide Openeye Name: biphenyl; [3-tert-butyl-4-(2-ethoxy-2-oxo-ethoxy)-5-methyl-phenyl]methyl-phenyl-phosphonium; bromide CAS Name: 1,1'-biphenyl; [3-tert-butyl-4-(2-ethoxy-2-oxoethoxy)-5-methylphenyl]methyl-phenylphosphonium; bromide IUPAC Name: 1,1'-biphenyl; [3-tert-butyl-4-(2-ethoxy-2-oxoethoxy)-5-methylphenyl]methyl-phenylphosphanium; bromide Traditional Name: biphenyl; [3-tert-butyl-4-(2-ethoxy-2-keto-ethoxy)-5-methyl-benzyl]-phenyl-phosphonium; bromide Formula: C34H40BrO3P MolecularWeight: 607.557361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1C(C)(C)C)C[PH2+]C2=CC=CC=C2)C.C1=CC=C(C=C1)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1C(C)(C)C)C[PH2+]C2=CC=CC=C2)C.C1=CC=C(C=C1)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C22H29O3P.C12H10.BrH/c1-6-24-20(23)14-25-21-16(2)12-17(13-19(21)22(3,4)5)15-26-18-10-8-7-9-11-18;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h7-13,26H,6,14-15H2,1-5H3;1-10H;1H