8-[(E)-3-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-[(E)-3-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[(E)-3-(2-hydroxy-4-methoxy-phenyl)-3-oxo-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[(E)-3-(2-hydroxy-4-methoxyphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[(E)-3-(2-hydroxy-4-methoxyphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[(E)-3-(2-hydroxy-4-methoxy-phenyl)-3-keto-prop-1-enyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C19H15O7- MolecularWeight: 355.3182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C=CC2=C3C(=CC(=C2)C(=O)[O-])COCO3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)/C=C/C2=C3C(=CC(=C2)C(=O)[O-])COCO3)O

InChI

InChI=1S/C19H16O7/c1-24-14-3-4-15(17(21)8-14)16(20)5-2-11-6-12(19(22)23)7-13-9-25-10-26-18(11)13/h2-8,21H,9-10H2,1H3,(H,22,23)/p-1/b5-2+