4-diphenylphosphanylbenzenesulfonic acid; iodanylpalladium(1+); nitrobenzene

Systemtic Name: 4-diphenylphosphanylbenzenesulfonic acid; iodanylpalladium(1+); nitrobenzene Openeye Name: 4-diphenylphosphanylbenzenesulfonic acid; iodopalladium(1+); nitrobenzene CAS Name: 4-diphenylphosphinobenzenesulfonic acid; iodopalladium(1+); nitrobenzene IUPAC Name: 4-diphenylphosphanylbenzenesulfonic acid; iodopalladium(1+); nitrobenzene Traditional Name: 4-diphenylphosphinobesylic acid; iodopalladium(1+); nitrobenzene Formula: C42H34INO8P2PdS2 MolecularWeight: 1040.123252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC(=C[C-]=C1)[N+](=O)[O-].[Pd+]I

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC(=C[C-]=C1)[N+](=O)[O-].[Pd+]I

InChI

InChI=1S/2C18H15O3PS.C6H4NO2.HI.Pd/c2*19-23(20,21)18-13-11-17(12-14-18)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16;8-7(9)6-4-2-1-3-5-6;;/h2*1-14H,(H,19,20,21);1-2,4-5H;1H;/q;;-1;;+2/p-1