1,1'-biphenyl; triphenylphosphanium; benzoate

Systemtic Name: 1,1'-biphenyl; triphenylphosphanium; benzoate Openeye Name: biphenyl; triphenylphosphonium; benzoate CAS Name: 1,1'-biphenyl; triphenylphosphonium; benzoate IUPAC Name: 1,1'-biphenyl; triphenylphosphanium; benzoate Traditional Name: biphenyl; triphenylphosphonium; benzoate Formula: C37H31O2P MolecularWeight: 538.614601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15P.C12H10.C7H6O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h1-15H;1-10H;1-5H,(H,8,9)