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

Systemtic Name: 1-butyl-4,6,7,8-tetrakis(chloranyl)dibenzo-p-dioxin-2,3-diolate Openeye Name: 1-butyl-4,6,7,8-tetrachloro-dibenzo-p-dioxin-2,3-diolate CAS Name: 1-butyl-4,6,7,8-tetrachlorodibenzo-p-dioxin-2,3-diolate IUPAC Name: 1-butyl-4,6,7,8-tetrachlorodibenzo-p-dioxin-2,3-diolate Traditional Name: 1-butyl-4,6,7,8-tetrachloro-dibenzo-p-dioxin-2,3-diolate Formula: C16H10Cl4O4-2 MolecularWeight: 408.0602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=C1OC3=CC(=C(C(=C3O2)Cl)Cl)Cl)Cl)[O-])[O-]

Isomeric SMILES

CCCCC1=C(C(=C(C2=C1OC3=CC(=C(C(=C3O2)Cl)Cl)Cl)Cl)[O-])[O-]

InChI

InChI=1S/C16H12Cl4O4/c1-2-3-4-6-12(21)13(22)11(20)16-14(6)23-8-5-7(17)9(18)10(19)15(8)24-16/h5,21-22H,2-4H2,1H3/p-2