1,4-dibutyl-6,7,8,9-tetrakis(chloranyl)dibenzo-p-dioxin-2,3-diolate

Systemtic Name: 1,4-dibutyl-6,7,8,9-tetrakis(chloranyl)dibenzo-p-dioxin-2,3-diolate Openeye Name: 1,4-dibutyl-6,7,8,9-tetrachloro-dibenzo-p-dioxin-2,3-diolate CAS Name: 1,4-dibutyl-6,7,8,9-tetrachlorodibenzo-p-dioxin-2,3-diolate IUPAC Name: 1,4-dibutyl-6,7,8,9-tetrachlorodibenzo-p-dioxin-2,3-diolate Traditional Name: 1,4-dibutyl-6,7,8,9-tetrachloro-dibenzo-p-dioxin-2,3-diolate Formula: C20H18Cl4O4-2 MolecularWeight: 464.16652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=C1OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl)CCCC)[O-])[O-]

Isomeric SMILES

CCCCC1=C(C(=C(C2=C1OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl)CCCC)[O-])[O-]

InChI

InChI=1S/C20H20Cl4O4/c1-3-5-7-9-15(25)16(26)10(8-6-4-2)18-17(9)27-19-13(23)11(21)12(22)14(24)20(19)28-18/h25-26H,3-8H2,1-2H3/p-2