8-[(E)-3-(5-methyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-[(E)-3-(5-methyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[(E)-3-(2-hydroxy-5-methyl-phenyl)-3-oxo-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[(E)-3-(2-hydroxy-5-methylphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[(E)-3-(2-hydroxy-5-methylphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[(E)-3-(2-hydroxy-5-methyl-phenyl)-3-keto-prop-1-enyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C19H15O6- MolecularWeight: 339.3188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C=CC2=C3C(=CC(=C2)C(=O)[O-])COCO3

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)/C=C/C2=C3C(=CC(=C2)C(=O)[O-])COCO3

InChI

InChI=1S/C19H16O6/c1-11-2-4-16(20)15(6-11)17(21)5-3-12-7-13(19(22)23)8-14-9-24-10-25-18(12)14/h2-8,20H,9-10H2,1H3,(H,22,23)/p-1/b5-3+