chloranylpalladium(1+); 2-(2,4-ditert-butylphenoxy)-6H-1,3,2-benzodioxaphosphinin-6-id-4-one

Systemtic Name: chloranylpalladium(1+); 2-(2,4-ditert-butylphenoxy)-6H-1,3,2-benzodioxaphosphinin-6-id-4-one Openeye Name: chloropalladium(1+); 2-(2,4-ditert-butylphenoxy)-6H-1,3,2-benzodioxaphosphinin-6-id-4-one CAS Name: chloropalladium(1+); 2-(2,4-ditert-butylphenoxy)-6H-1,3,2-benzodioxaphosphorin-6-id-4-one IUPAC Name: chloropalladium(1+); 2-(2,4-ditert-butylphenoxy)-6H-1,3,2-benzodioxaphosphinin-6-id-4-one Traditional Name: chloropalladium(1+); 2-(2,4-ditert-butylphenoxy)-6H-1,3,2-benzodioxaphosphorin-6-id-4-one Formula: C42H48Cl2O8P2Pd2 MolecularWeight: 1026.519242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OP2OC3=CC=[C-]C=C3C(=O)O2)C(C)(C)C.CC(C)(C)C1=CC(=C(C=C1)OP2OC3=CC=[C-]C=C3C(=O)O2)C(C)(C)C.Cl[Pd+].Cl[Pd+]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OP2OC3=CC=[C-]C=C3C(=O)O2)C(C)(C)C.CC(C)(C)C1=CC(=C(C=C1)OP2OC3=CC=[C-]C=C3C(=O)O2)C(C)(C)C.Cl[Pd+].Cl[Pd+]

InChI

InChI=1S/2C21H24O4P.2ClH.2Pd/c2*1-20(2,3)14-11-12-18(16(13-14)21(4,5)6)24-26-23-17-10-8-7-9-15(17)19(22)25-26;;;;/h2*8-13H,1-6H3;2*1H;;/q2*-1;;;2*+2/p-2