chloranylpalladium(1+); methyl 3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-4-ide-1-carboxylate

Systemtic Name: chloranylpalladium(1+); methyl 3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-4-ide-1-carboxylate Openeye Name: chloropalladium(1+); methyl 3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-4-ide-1-carboxylate CAS Name: 3,5-bis[(3,5-dimethyl-1-pyrazolyl)methyl]-1-benzene-4-idecarboxylic acid methyl ester; chloropalladium(1+) IUPAC Name: chloropalladium(1+); methyl 3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-4-ide-1-carboxylate Traditional Name: 3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-4-ide-1-carboxylic acid methyl ester; chloropalladium(1+) Formula: C20H23ClN4O2Pd MolecularWeight: 493.29522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC(=[C-]2)CN3C(=CC(=N3)C)C)C(=O)OC)C.Cl[Pd+]

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC(=[C-]2)CN3C(=CC(=N3)C)C)C(=O)OC)C.Cl[Pd+]

InChI

InChI=1S/C20H23N4O2.ClH.Pd/c1-13-6-15(3)23(21-13)11-17-8-18(10-19(9-17)20(25)26-5)12-24-16(4)7-14(2)22-24;;/h6-7,9-10H,11-12H2,1-5H3;1H;/q-1;;+2/p-1