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

Systemtic Name: 1-nonyldibenzo-p-dioxin-2,3-diolate Openeye Name: 1-nonyldibenzo-p-dioxin-2,3-diolate CAS Name: 1-nonyldibenzo-p-dioxin-2,3-diolate IUPAC Name: 1-nonyldibenzo-p-dioxin-2,3-diolate Traditional Name: 1-nonyldibenzo-p-dioxin-2,3-diolate Formula: C21H24O4-2 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=CC2=C1OC3=CC=CC=C3O2)[O-])[O-]

Isomeric SMILES

CCCCCCCCCC1=C(C(=CC2=C1OC3=CC=CC=C3O2)[O-])[O-]

InChI

InChI=1S/C21H26O4/c1-2-3-4-5-6-7-8-11-15-20(23)16(22)14-19-21(15)25-18-13-10-9-12-17(18)24-19/h9-10,12-14,22-23H,2-8,11H2,1H3/p-2