[4,7-bis(chloranyl)-1-(4,6-dimethoxypyrimidin-2-yl)-3-oxidanylidene-2-benzofuran-1-yl] hexanoate

Systemtic Name: [4,7-bis(chloranyl)-1-(4,6-dimethoxypyrimidin-2-yl)-3-oxidanylidene-2-benzofuran-1-yl] hexanoate Openeye Name: [4,7-dichloro-1-(4,6-dimethoxypyrimidin-2-yl)-3-oxo-isobenzofuran-1-yl] hexanoate CAS Name: hexanoic acid [4,7-dichloro-1-(4,6-dimethoxy-2-pyrimidinyl)-3-oxo-1-isobenzofuranyl] ester IUPAC Name: [4,7-dichloro-1-(4,6-dimethoxypyrimidin-2-yl)-3-oxo-2-benzofuran-1-yl] hexanoate Traditional Name: hexanoic acid [4,7-dichloro-1-(4,6-dimethoxypyrimidin-2-yl)-3-keto-phthalan-1-yl] ester Formula: C20H20Cl2N2O6 MolecularWeight: 455.2886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1(C2=C(C=CC(=C2C(=O)O1)Cl)Cl)C3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CCCCCC(=O)OC1(C2=C(C=CC(=C2C(=O)O1)Cl)Cl)C3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C20H20Cl2N2O6/c1-4-5-6-7-15(25)29-20(19-23-13(27-2)10-14(24-19)28-3)17-12(22)9-8-11(21)16(17)18(26)30-20/h8-10H,4-7H2,1-3H3