chloranylpalladium(1+); ethyl 3-[2-(3-methylbutan-2-yl)phenyl]isoquinoline-4-carboxylate

Systemtic Name: chloranylpalladium(1+); ethyl 3-[2-(3-methylbutan-2-yl)phenyl]isoquinoline-4-carboxylate Openeye Name: chloropalladium(1+); ethyl 3-[2-[1,2-di(methyl)propyl]phenyl]isoquinoline-4-carboxylate CAS Name: chloropalladium(1+); 3-[2-(3-methylbutan-2-yl)phenyl]-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: chloropalladium(1+); ethyl 3-[2-(3-methylbutan-2-yl)phenyl]isoquinoline-4-carboxylate Traditional Name: chloropalladium(1+); 3-[2-[1,2-di(methyl)propyl]phenyl]isoquinoline-4-carboxylic acid ethyl ester Formula: C46H44Cl2N2O4Pd2+2 MolecularWeight: 972.59856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC2=CC=CC=C21)C3=CC=CC=C3[C]([CH2])[C](C)C.CCOC(=O)C1=C(N=CC2=CC=CC=C21)C3=CC=CC=C3[C]([CH2])[C](C)C.Cl[Pd+].Cl[Pd+]

Isomeric SMILES

CCOC(=O)C1=C(N=CC2=CC=CC=C21)C3=CC=CC=C3[C]([CH2])[C](C)C.CCOC(=O)C1=C(N=CC2=CC=CC=C21)C3=CC=CC=C3[C]([CH2])[C](C)C.Cl[Pd+].Cl[Pd+]

InChI

InChI=1S/2C23H22NO2.2ClH.2Pd/c2*1-5-26-23(25)21-19-12-7-6-10-17(19)14-24-22(21)20-13-9-8-11-18(20)16(4)15(2)3;;;;/h2*6-14H,4-5H2,1-3H3;2*1H;;/q;;;;2*+2/p-2