1,4-dibutyldibenzo-p-dioxin-2,3-diolate

Systemtic Name: 1,4-dibutyldibenzo-p-dioxin-2,3-diolate Openeye Name: 1,4-dibutyldibenzo-p-dioxin-2,3-diolate CAS Name: 1,4-dibutyldibenzo-p-dioxin-2,3-diolate IUPAC Name: 1,4-dibutyldibenzo-p-dioxin-2,3-diolate Traditional Name: 1,4-dibutyldibenzo-p-dioxin-2,3-diolate Formula: C20H22O4-2 MolecularWeight: 326.38628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24O4/c1-3-5-9-13-17(21)18(22)14(10-6-4-2)20-19(13)23-15-11-7-8-12-16(15)24-20/h7-8,11-12,21-22H,3-6,9-10H2,1-2H3/p-2