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

Systemtic Name: 1-pentyldibenzo-p-dioxin-2,3-diolate Openeye Name: 1-pentyldibenzo-p-dioxin-2,3-diolate CAS Name: 1-pentyldibenzo-p-dioxin-2,3-diolate IUPAC Name: 1-pentyldibenzo-p-dioxin-2,3-diolate Traditional Name: 1-amyldibenzo-p-dioxin-2,3-diolate Formula: C17H16O4-2 MolecularWeight: 284.30654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=CC2=C1OC3=CC=CC=C3O2)[O-])[O-]

Isomeric SMILES

CCCCCC1=C(C(=CC2=C1OC3=CC=CC=C3O2)[O-])[O-]

InChI

InChI=1S/C17H18O4/c1-2-3-4-7-11-16(19)12(18)10-15-17(11)21-14-9-6-5-8-13(14)20-15/h5-6,8-10,18-19H,2-4,7H2,1H3/p-2