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

Systemtic Name: 1,4-dibutyl-6,7-bis(chloranyl)dibenzo-p-dioxin-2,3-diolate Openeye Name: 1,4-dibutyl-6,7-dichloro-dibenzo-p-dioxin-2,3-diolate CAS Name: 1,4-dibutyl-6,7-dichlorodibenzo-p-dioxin-2,3-diolate IUPAC Name: 1,4-dibutyl-6,7-dichlorodibenzo-p-dioxin-2,3-diolate Traditional Name: 1,4-dibutyl-6,7-dichloro-dibenzo-p-dioxin-2,3-diolate Formula: C20H20Cl2O4-2 MolecularWeight: 395.2764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=C1OC3=C(O2)C(=C(C=C3)Cl)Cl)CCCC)[O-])[O-]

Isomeric SMILES

CCCCC1=C(C(=C(C2=C1OC3=C(O2)C(=C(C=C3)Cl)Cl)CCCC)[O-])[O-]

InChI

InChI=1S/C20H22Cl2O4/c1-3-5-7-11-16(23)17(24)12(8-6-4-2)19-18(11)25-14-10-9-13(21)15(22)20(14)26-19/h9-10,23-24H,3-8H2,1-2H3/p-2