1,4-bis(ethynyl)-2,5-dioctoxy-benzene; chloranylpalladium(1+); tributylphosphanium

Systemtic Name: 1,4-bis(ethynyl)-2,5-dioctoxy-benzene; chloranylpalladium(1+); tributylphosphanium Openeye Name: 1,4-bis(ethynyl)-2,5-dioctoxy-benzene; chloropalladium(1+); tributylphosphonium CAS Name: 1,4-bis(ethynyl)-2,5-dioctoxybenzene; chloropalladium(1+); tributylphosphonium IUPAC Name: 1,4-bis(ethynyl)-2,5-dioctoxybenzene; chloropalladium(1+); tributylphosphanium Traditional Name: 1,4-bis(ethynyl)-2,5-dioctoxy-benzene; chloropalladium(1+); tributylphosphonium Formula: C74H148Cl2O2P4Pd2+4 MolecularWeight: 1477.606764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1C#[C-])OCCCCCCCC)C#[C-].CCCC[PH+](CCCC)CCCC.CCCC[PH+](CCCC)CCCC.CCCC[PH+](CCCC)CCCC.CCCC[PH+](CCCC)CCCC.Cl[Pd+].Cl[Pd+]

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1C#[C-])OCCCCCCCC)C#[C-].CCCC[PH+](CCCC)CCCC.CCCC[PH+](CCCC)CCCC.CCCC[PH+](CCCC)CCCC.CCCC[PH+](CCCC)CCCC.Cl[Pd+].Cl[Pd+]

InChI

InChI=1S/C26H36O2.4C12H27P.2ClH.2Pd/c1-5-9-11-13-15-17-19-27-25-21-24(8-4)26(22-23(25)7-3)28-20-18-16-14-12-10-6-2;4*1-4-7-10-13(11-8-5-2)12-9-6-3;;;;/h21-22H,5-6,9-20H2,1-2H3;4*4-12H2,1-3H3;2*1H;;/q-2;;;;;;;2*+2/p+2