chloranylpalladium(1+); pyridine-4-thiolate; triphenylphosphane

Systemtic Name: chloranylpalladium(1+); pyridine-4-thiolate; triphenylphosphane Openeye Name: chloropalladium(1+); pyridine-4-thiolate; triphenylphosphane CAS Name: chloropalladium(1+); 4-pyridinethiolate; triphenylphosphine IUPAC Name: chloropalladium(1+); pyridine-4-thiolate; triphenylphosphane Traditional Name: chloropalladium(1+); pyridine-4-thiolate; triphenylphosphine Formula: C69H57Cl3N3P3Pd3S3 MolecularWeight: 1542.946263

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Descriptors Computed from Structure

Canonical SMILES:

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.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CN=CC=C1[S-].C1=CN=CC=C1[S-].C1=CN=CC=C1[S-].Cl[Pd+].Cl[Pd+].Cl[Pd+]

Isomeric SMILES

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.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CN=CC=C1[S-].C1=CN=CC=C1[S-].C1=CN=CC=C1[S-].Cl[Pd+].Cl[Pd+].Cl[Pd+]

InChI

InChI=1S/3C18H15P.3C5H5NS.3ClH.3Pd/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*7-5-1-3-6-4-2-5;;;;;;/h3*1-15H;3*1-4H,(H,6,7);3*1H;;;/q;;;;;;;;;3*+2/p-6