1,4-diethynylbenzene; palladium(2+); triphenylphosphane

Systemtic Name: 1,4-diethynylbenzene; palladium(2+); triphenylphosphane Openeye Name: 1,4-diethynylbenzene; palladium(2+); triphenylphosphane CAS Name: 1,4-diethynylbenzene; palladium(2+); triphenylphosphine IUPAC Name: 1,4-diethynylbenzene; palladium(2+); triphenylphosphane Traditional Name: 1,4-diethynylbenzene; palladium(2+); triphenylphosphine Formula: C56H40P2Pd MolecularWeight: 881.284322

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C#[C-].C#CC1=CC=C(C=C1)C#[C-].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.[Pd+2]

Isomeric SMILES

C#CC1=CC=C(C=C1)C#[C-].C#CC1=CC=C(C=C1)C#[C-].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.[Pd+2]

InChI

InChI=1S/2C18H15P.2C10H5.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-9-5-7-10(4-2)8-6-9;/h2*1-15H;2*1,5-8H;/q;;2*-1;+2