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

Systemtic Name: 1-heptyldibenzo-p-dioxin-2,3-diolate Openeye Name: 1-heptyldibenzo-p-dioxin-2,3-diolate CAS Name: 1-heptyldibenzo-p-dioxin-2,3-diolate IUPAC Name: 1-heptyldibenzo-p-dioxin-2,3-diolate Traditional Name: 1-heptyldibenzo-p-dioxin-2,3-diolate Formula: C19H20O4-2 MolecularWeight: 312.3597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=CC2=C1OC3=CC=CC=C3O2)[O-])[O-]

Isomeric SMILES

CCCCCCCC1=C(C(=CC2=C1OC3=CC=CC=C3O2)[O-])[O-]

InChI

InChI=1S/C19H22O4/c1-2-3-4-5-6-9-13-18(21)14(20)12-17-19(13)23-16-11-8-7-10-15(16)22-17/h7-8,10-12,20-21H,2-6,9H2,1H3/p-2