benzene; palladium; triphenylphosphane; dihydrate

Systemtic Name: benzene; palladium; triphenylphosphane; dihydrate Openeye Name: benzene; palladium; triphenylphosphane; dihydrate CAS Name: benzene; palladium; triphenylphosphine; dihydrate IUPAC Name: benzene; palladium; triphenylphosphane; dihydrate Traditional Name: benzene; palladium; triphenylphosphine; dihydrate Formula: C48H44O2P2Pd2-2 MolecularWeight: 927.649282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.O.O.[Pd].[Pd]

Isomeric SMILES

C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.O.O.[Pd].[Pd]

InChI

InChI=1S/2C18H15P.2C6H5.2H2O.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-6-5-3-1;;;;/h2*1-15H;2*1-5H;2*1H2;;/q;;2*-1;;;;