1,1'-biphenyl; (2-methoxy-6-methyl-phenyl)methyl-phenyl-phosphanium; bromide

Systemtic Name: 1,1'-biphenyl; (2-methoxy-6-methyl-phenyl)methyl-phenyl-phosphanium; bromide Openeye Name: biphenyl; (2-methoxy-6-methyl-phenyl)methyl-phenyl-phosphonium; bromide CAS Name: 1,1'-biphenyl; (2-methoxy-6-methylphenyl)methyl-phenylphosphonium; bromide IUPAC Name: 1,1'-biphenyl; (2-methoxy-6-methylphenyl)methyl-phenylphosphanium; bromide Traditional Name: biphenyl; (2-methoxy-6-methyl-benzyl)-phenyl-phosphonium; bromide Formula: C27H28BrOP MolecularWeight: 479.388381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17OP.C12H10.BrH/c1-12-7-6-10-15(16-2)14(12)11-17-13-8-4-3-5-9-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h3-10,17H,11H2,1-2H3;1-10H;1H