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

Systemtic Name: sodium 5-[3-(4-ethoxycarbonylphenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: sodium 5-[3-(4-ethoxycarbonylphenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate CAS Name: sodium 5-[3-(4-ethoxycarbonylphenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: sodium 5-[3-(4-ethoxycarbonylphenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: sodium 5-[3-(4-carbethoxyphenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylate Formula: C22H19NaO9 MolecularWeight: 450.37063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20O9.Na/c1-2-28-22(27)13-6-8-15(9-7-13)29-11-14(23)12-30-17-4-3-5-18-20(17)16(24)10-19(31-18)21(25)26;/h3-10,14,23H,2,11-12H2,1H3,(H,25,26);/q;+1/p-1