chloranylpalladium(1+); ethyl 3-phenylisoquinoline-4-carboxylate

Systemtic Name: chloranylpalladium(1+); ethyl 3-phenylisoquinoline-4-carboxylate Openeye Name: chloropalladium(1+); ethyl 3-phenylisoquinoline-4-carboxylate CAS Name: chloropalladium(1+); 3-phenyl-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: chloropalladium(1+); ethyl 3-phenylisoquinoline-4-carboxylate Traditional Name: chloropalladium(1+); 3-phenylisoquinoline-4-carboxylic acid ethyl ester Formula: C36H28Cl2N2O4Pd2 MolecularWeight: 836.36452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC2=CC=CC=C21)C3=CC=CC=[C-]3.CCOC(=O)C1=C(N=CC2=CC=CC=C21)C3=CC=CC=[C-]3.Cl[Pd+].Cl[Pd+]

Isomeric SMILES

CCOC(=O)C1=C(N=CC2=CC=CC=C21)C3=CC=CC=[C-]3.CCOC(=O)C1=C(N=CC2=CC=CC=C21)C3=CC=CC=[C-]3.Cl[Pd+].Cl[Pd+]

InChI

InChI=1S/2C18H14NO2.2ClH.2Pd/c2*1-2-21-18(20)16-15-11-7-6-10-14(15)12-19-17(16)13-8-4-3-5-9-13;;;;/h2*3-8,10-12H,2H2,1H3;2*1H;;/q2*-1;;;2*+2/p-2