1-tridecyldibenzo-p-dioxin-2,3-diolate

Systemtic Name: 1-tridecyldibenzo-p-dioxin-2,3-diolate Openeye Name: 1-tridecyldibenzo-p-dioxin-2,3-diolate CAS Name: 1-tridecyldibenzo-p-dioxin-2,3-diolate IUPAC Name: 1-tridecyldibenzo-p-dioxin-2,3-diolate Traditional Name: 1-tridecyldibenzo-p-dioxin-2,3-diolate Formula: C25H32O4-2 MolecularWeight: 396.51918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=C(C(=CC2=C1OC3=CC=CC=C3O2)[O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCC1=C(C(=CC2=C1OC3=CC=CC=C3O2)[O-])[O-]

InChI

InChI=1S/C25H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-24(27)20(26)18-23-25(19)29-22-17-14-13-16-21(22)28-23/h13-14,16-18,26-27H,2-12,15H2,1H3/p-2