sodium 2-[[2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-7-yl]oxy]ethanoate

Systemtic Name: sodium 2-[[2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-7-yl]oxy]ethanoate Openeye Name: sodium 2-[5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-4-oxo-chroman-7-yl]oxyacetate CAS Name: sodium 2-[[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy]acetate IUPAC Name: sodium 2-[[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]acetate Traditional Name: sodium 2-[5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-4-keto-chroman-7-yl]oxyacetate Formula: C18H15NaO8 MolecularWeight: 382.29667

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OCC(=O)[O-])O)O.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OCC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C18H16O8.Na/c1-24-14-3-2-9(4-11(14)19)15-7-13(21)18-12(20)5-10(6-16(18)26-15)25-8-17(22)23;/h2-6,15,19-20H,7-8H2,1H3,(H,22,23);/q;+1/p-1