1,1'-biphenyl; (2,6-dimethylphenyl)methyl-phenyl-phosphanium; chloride

Systemtic Name: 1,1'-biphenyl; (2,6-dimethylphenyl)methyl-phenyl-phosphanium; chloride Openeye Name: biphenyl; (2,6-dimethylphenyl)methyl-phenyl-phosphonium; chloride CAS Name: 1,1'-biphenyl; (2,6-dimethylphenyl)methyl-phenylphosphonium; chloride IUPAC Name: 1,1'-biphenyl; (2,6-dimethylphenyl)methyl-phenylphosphanium; chloride Traditional Name: biphenyl; (2,6-dimethylbenzyl)-phenyl-phosphonium; chloride Formula: C27H28ClP MolecularWeight: 418.937981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C[PH2+]C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)C[PH2+]C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C15H17P.C12H10.ClH/c1-12-7-6-8-13(2)15(12)11-16-14-9-4-3-5-10-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h3-10,16H,11H2,1-2H3;1-10H;1H