4-butyl-2,3-bis(oxidanyl)dibenzo-p-dioxin-1-carboxylate

Systemtic Name: 4-butyl-2,3-bis(oxidanyl)dibenzo-p-dioxin-1-carboxylate Openeye Name: 4-butyl-2,3-dihydroxy-dibenzo-p-dioxin-1-carboxylate CAS Name: 4-butyl-2,3-dihydroxy-1-dibenzo-p-dioxincarboxylate IUPAC Name: 4-butyl-2,3-dihydroxydibenzo-p-dioxin-1-carboxylate Traditional Name: 4-butyl-2,3-dihydroxy-dibenzo-p-dioxin-1-carboxylate Formula: C17H15O6- MolecularWeight: 315.2974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C(C(=C1O)O)C(=O)[O-])OC3=CC=CC=C3O2

Isomeric SMILES

CCCCC1=C2C(=C(C(=C1O)O)C(=O)[O-])OC3=CC=CC=C3O2

InChI

InChI=1S/C17H16O6/c1-2-3-6-9-13(18)14(19)12(17(20)21)16-15(9)22-10-7-4-5-8-11(10)23-16/h4-5,7-8,18-19H,2-3,6H2,1H3,(H,20,21)/p-1