8-(6,7-dimethyl-3-oxidanyl-4-oxidanylidene-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-(6,7-dimethyl-3-oxidanyl-4-oxidanylidene-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-(3-hydroxy-6,7-dimethyl-4-oxo-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-(3-hydroxy-6,7-dimethyl-4-oxo-1-benzopyran-2-yl)-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-(3-hydroxy-6,7-dimethyl-4-oxochromen-2-yl)-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-(3-hydroxy-4-keto-6,7-dimethyl-chromen-2-yl)-4H-1,3-benzodioxin-6-carboxylate Formula: C20H15O7- MolecularWeight: 367.3289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC(=CC4=C3OCOC4)C(=O)[O-])O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC(=CC4=C3OCOC4)C(=O)[O-])O)C

InChI

InChI=1S/C20H16O7/c1-9-3-13-15(4-10(9)2)27-19(17(22)16(13)21)14-6-11(20(23)24)5-12-7-25-8-26-18(12)14/h3-6,22H,7-8H2,1-2H3,(H,23,24)/p-1