4-tert-butylcyclohexene; chloranylpalladium(1+); triphenylphosphane

Systemtic Name: 4-tert-butylcyclohexene; chloranylpalladium(1+); triphenylphosphane Openeye Name: 4-tert-butylcyclohexene; chloropalladium(1+); triphenylphosphane CAS Name: 4-tert-butylcyclohexene; chloropalladium(1+); triphenylphosphine IUPAC Name: 4-tert-butylcyclohexene; chloropalladium(1+); triphenylphosphane Traditional Name: 4-tert-butylcyclohexene; chloropalladium(1+); triphenylphosphine Formula: C46H47ClP2Pd MolecularWeight: 803.685902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC=[C-]C1.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.Cl[Pd+]

Isomeric SMILES

CC(C)(C)C1CCC=[C-]C1.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.Cl[Pd+]

InChI

InChI=1S/2C18H15P.C10H17.ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2,3)9-7-5-4-6-8-9;;/h2*1-15H;4,9H,5,7-8H2,1-3H3;1H;/q;;-1;;+2/p-1