sodium 5-[3-(2-ethanoyl-3-oxidanyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: sodium 5-[3-(2-ethanoyl-3-oxidanyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: sodium 5-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate CAS Name: sodium 5-[3-(2-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: sodium 5-[3-(2-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: sodium 5-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylate Formula: C21H17NaO9 MolecularWeight: 436.34405

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC=C1OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)[O-])O)O.[Na+]

Isomeric SMILES

CC(=O)C1=C(C=CC=C1OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C21H18O9.Na/c1-11(22)19-13(24)4-2-5-15(19)28-9-12(23)10-29-16-6-3-7-17-20(16)14(25)8-18(30-17)21(26)27;/h2-8,12,23-24H,9-10H2,1H3,(H,26,27);/q;+1/p-1