1,1'-biphenyl; (2-phenylphenyl)phosphanium; benzoate

Systemtic Name: 1,1'-biphenyl; (2-phenylphenyl)phosphanium; benzoate Openeye Name: biphenyl; (2-phenylphenyl)phosphonium; benzoate CAS Name: 1,1'-biphenyl; (2-phenylphenyl)phosphonium; benzoate IUPAC Name: 1,1'-biphenyl; (2-phenylphenyl)phosphanium; benzoate Traditional Name: biphenyl; (2-phenylphenyl)phosphonium; benzoate Formula: C55H47O2P MolecularWeight: 770.934241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2[PH3+].C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2[PH3+].C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C12H11P.3C12H10.C7H6O2/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;3*1-3-7-11(8-4-1)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h1-9H,13H2;3*1-10H;1-5H,(H,8,9)