sodium 6-[3-(4-cyanophenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: sodium 6-[3-(4-cyanophenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: sodium 6-[3-(4-cyanophenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate CAS Name: sodium 6-[3-(4-cyanophenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: sodium 6-[3-(4-cyanophenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: sodium 6-[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=CC(=CC=C1C#N)OCC(COC2=CC3=C(C=C2)OC(=CC3=O)C(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C#N)OCC(COC2=CC3=C(C=C2)OC(=CC3=O)C(=O)[O-])O.[Na+]

InChI

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