chloranylpalladium(1+); methyl 3,5-bis(pyrazol-1-ylmethyl)benzene-6-ide-1-carboxylate

Systemtic Name: chloranylpalladium(1+); methyl 3,5-bis(pyrazol-1-ylmethyl)benzene-6-ide-1-carboxylate Openeye Name: chloropalladium(1+); methyl 3,5-bis(pyrazol-1-ylmethyl)benzene-6-ide-1-carboxylate CAS Name: 3,5-bis(1-pyrazolylmethyl)-1-benzene-6-idecarboxylic acid methyl ester; chloropalladium(1+) IUPAC Name: chloropalladium(1+); methyl 3,5-bis(pyrazol-1-ylmethyl)benzene-6-ide-1-carboxylate Traditional Name: 3,5-bis(pyrazol-1-ylmethyl)benzene-6-ide-1-carboxylic acid methyl ester; chloropalladium(1+) Formula: C16H15ClN4O2Pd MolecularWeight: 437.1889

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=[C-]C(=CC(=C1)CN2C=CC=N2)CN3C=CC=N3.Cl[Pd+]

Isomeric SMILES

COC(=O)C1=[C-]C(=CC(=C1)CN2C=CC=N2)CN3C=CC=N3.Cl[Pd+]

InChI

InChI=1S/C16H15N4O2.ClH.Pd/c1-22-16(21)15-9-13(11-19-6-2-4-17-19)8-14(10-15)12-20-7-3-5-18-20;;/h2-9H,11-12H2,1H3;1H;/q-1;;+2/p-1