chloranylpalladium(1+); (2,4-ditert-butylbenzene-6-id-1-yl) bis(2,4-ditert-butylphenyl) phosphite

Systemtic Name: chloranylpalladium(1+); (2,4-ditert-butylbenzene-6-id-1-yl) bis(2,4-ditert-butylphenyl) phosphite Openeye Name: chloropalladium(1+); (2,4-ditert-butylbenzene-6-id-1-yl) bis(2,4-ditert-butylphenyl) phosphite CAS Name: chloropalladium(1+); phosphorous acid (2,4-ditert-butyl-1-benzene-6-idyl) bis(2,4-ditert-butylphenyl) ester IUPAC Name: chloropalladium(1+); (2,4-ditert-butylbenzene-6-id-1-yl) bis(2,4-ditert-butylphenyl) phosphite Traditional Name: chloropalladium(1+); phosphorous acid (2,4-ditert-butylbenzene-6-id-1-yl) bis(2,4-ditert-butylphenyl) ester Formula: C84H124Cl2O6P2Pd2 MolecularWeight: 1575.573282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=[C-]3)C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=[C-]3)C(C)(C)C)C(C)(C)C)C(C)(C)C.Cl[Pd+].Cl[Pd+]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=[C-]3)C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=[C-]3)C(C)(C)C)C(C)(C)C)C(C)(C)C.Cl[Pd+].Cl[Pd+]

InChI

InChI=1S/2C42H62O3P.2ClH.2Pd/c2*1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18;;;;/h2*19-23,25-27H,1-18H3;2*1H;;/q2*-1;;;2*+2/p-2