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

Systemtic Name: 8-[(E)-3-(4,5-dimethyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[(E)-3-(2-hydroxy-4,5-dimethyl-phenyl)-3-oxo-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[(E)-3-(2-hydroxy-4,5-dimethylphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[(E)-3-(2-hydroxy-4,5-dimethylphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[(E)-3-(2-hydroxy-4,5-dimethyl-phenyl)-3-keto-prop-1-enyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C20H17O6- MolecularWeight: 353.34538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18O6/c1-11-5-16(18(22)6-12(11)2)17(21)4-3-13-7-14(20(23)24)8-15-9-25-10-26-19(13)15/h3-8,22H,9-10H2,1-2H3,(H,23,24)/p-1/b4-3+