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

Systemtic Name: 1,4,6-tributyl-7,8,9-tris(chloranyl)dibenzo-p-dioxin-2,3-diolate Openeye Name: 1,4,6-tributyl-7,8,9-trichloro-dibenzo-p-dioxin-2,3-diolate CAS Name: 1,4,6-tributyl-7,8,9-trichlorodibenzo-p-dioxin-2,3-diolate IUPAC Name: 1,4,6-tributyl-7,8,9-trichlorodibenzo-p-dioxin-2,3-diolate Traditional Name: 1,4,6-tributyl-7,8,9-trichloro-dibenzo-p-dioxin-2,3-diolate Formula: C24H27Cl3O4-2 MolecularWeight: 485.82778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29Cl3O4/c1-4-7-10-13-16(25)17(26)18(27)24-21(13)30-22-14(11-8-5-2)19(28)20(29)15(12-9-6-3)23(22)31-24/h28-29H,4-12H2,1-3H3/p-2