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

Systemtic Name: 1,4,6-tributyl-7,8-bis(chloranyl)dibenzo-p-dioxin-2,3-diolate Openeye Name: 1,4,6-tributyl-7,8-dichloro-dibenzo-p-dioxin-2,3-diolate CAS Name: 1,4,6-tributyl-7,8-dichlorodibenzo-p-dioxin-2,3-diolate IUPAC Name: 1,4,6-tributyl-7,8-dichlorodibenzo-p-dioxin-2,3-diolate Traditional Name: 1,4,6-tributyl-7,8-dichloro-dibenzo-p-dioxin-2,3-diolate Formula: C24H28Cl2O4-2 MolecularWeight: 451.38272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30Cl2O4/c1-4-7-10-14-19(26)17(25)13-18-22(14)30-24-16(12-9-6-3)21(28)20(27)15(11-8-5-2)23(24)29-18/h13,27-28H,4-12H2,1-3H3/p-2