sodium 2-[2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-4-oxidanylidene-chromen-7-yl]oxyethanoate

Systemtic Name: sodium 2-[2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-4-oxidanylidene-chromen-7-yl]oxyethanoate Openeye Name: sodium 2-[2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-4-oxo-chromen-7-yl]oxyacetate CAS Name: sodium 2-[[2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-4-oxo-1-benzopyran-7-yl]oxy]acetate IUPAC Name: sodium 2-[2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-4-oxochromen-7-yl]oxyacetate Traditional Name: sodium 2-[2-(3,4-dimethoxyphenyl)-4-keto-5,6-dimethoxy-chromen-7-yl]oxyacetate Formula: C21H19NaO9 MolecularWeight: 438.35993

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OCC(=O)[O-])OC)OC)OC.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OCC(=O)[O-])OC)OC)OC.[Na+]

InChI

InChI=1S/C21H20O9.Na/c1-25-13-6-5-11(7-15(13)26-2)14-8-12(22)19-16(30-14)9-17(29-10-18(23)24)20(27-3)21(19)28-4;/h5-9H,10H2,1-4H3,(H,23,24);/q;+1/p-1