1,4-dibutyl-6-chloranyl-dibenzo-p-dioxin-2,3-diolate

Systemtic Name: 1,4-dibutyl-6-chloranyl-dibenzo-p-dioxin-2,3-diolate Openeye Name: 1,4-dibutyl-6-chloro-dibenzo-p-dioxin-2,3-diolate CAS Name: 1,4-dibutyl-6-chlorodibenzo-p-dioxin-2,3-diolate IUPAC Name: 1,4-dibutyl-6-chlorodibenzo-p-dioxin-2,3-diolate Traditional Name: 1,4-dibutyl-6-chloro-dibenzo-p-dioxin-2,3-diolate Formula: C20H21ClO4-2 MolecularWeight: 360.83134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClO4/c1-3-5-8-12-16(22)17(23)13(9-6-4-2)19-18(12)24-15-11-7-10-14(21)20(15)25-19/h7,10-11,22-23H,3-6,8-9H2,1-2H3/p-2