bis(5-chloranylpyridin-3-yl) 5-tert-butylbenzene-1,3-dicarboxylate

Systemtic Name: bis(5-chloranylpyridin-3-yl) 5-tert-butylbenzene-1,3-dicarboxylate Openeye Name: bis(5-chloro-3-pyridyl) 5-tert-butylbenzene-1,3-dicarboxylate CAS Name: 5-tert-butylbenzene-1,3-dicarboxylic acid bis(5-chloro-3-pyridinyl) ester IUPAC Name: bis(5-chloropyridin-3-yl) 5-tert-butylbenzene-1,3-dicarboxylate Traditional Name: 5-tert-butylbenzene-1,3-dicarboxylic acid bis(5-chloro-3-pyridyl) ester Formula: C22H18Cl2N2O4 MolecularWeight: 445.29532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2=CC(=CN=C2)Cl)C(=O)OC3=CC(=CN=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2=CC(=CN=C2)Cl)C(=O)OC3=CC(=CN=C3)Cl

InChI

InChI=1S/C22H18Cl2N2O4/c1-22(2,3)15-5-13(20(27)29-18-7-16(23)9-25-11-18)4-14(6-15)21(28)30-19-8-17(24)10-26-12-19/h4-12H,1-3H3