bis[2,3,4,5,6-pentakis(chloranyl)phenyl] 2-pyridin-3-ylpropanedioate

Systemtic Name: bis[2,3,4,5,6-pentakis(chloranyl)phenyl] 2-pyridin-3-ylpropanedioate Openeye Name: bis(2,3,4,5,6-pentachlorophenyl) 2-(3-pyridyl)propanedioate CAS Name: 2-(3-pyridinyl)propanedioic acid bis(2,3,4,5,6-pentachlorophenyl) ester IUPAC Name: bis(2,3,4,5,6-pentachlorophenyl) 2-pyridin-3-ylpropanedioate Traditional Name: 2-(3-pyridyl)malonic acid bis(2,3,4,5,6-pentachlorophenyl) ester Formula: C20H5Cl10NO4 MolecularWeight: 677.788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(C(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)C(=O)OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(C(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)C(=O)OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl

InChI

InChI=1S/C20H5Cl10NO4/c21-7-9(23)13(27)17(14(28)10(7)24)34-19(32)6(5-2-1-3-31-4-5)20(33)35-18-15(29)11(25)8(22)12(26)16(18)30/h1-4,6H