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

Systemtic Name: sodium 5-[3-(4-cyanophenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: sodium 5-[3-(4-cyanophenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate CAS Name: sodium 5-[3-(4-cyanophenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: sodium 5-[3-(4-cyanophenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: sodium 5-[3-(4-cyanophenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylate Formula: C20H14NNaO7 MolecularWeight: 403.31743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OCC(COC3=CC=C(C=C3)C#N)O)C(=O)C=C(O2)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)OCC(COC3=CC=C(C=C3)C#N)O)C(=O)C=C(O2)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H15NO7.Na/c21-9-12-4-6-14(7-5-12)26-10-13(22)11-27-16-2-1-3-17-19(16)15(23)8-18(28-17)20(24)25;/h1-8,13,22H,10-11H2,(H,24,25);/q;+1/p-1