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

Systemtic Name: sodium 4-oxidanylidene-6-[2-oxidanyl-3-(2-propylphenoxy)propoxy]chromene-2-carboxylate Openeye Name: sodium 6-[2-hydroxy-3-(2-propylphenoxy)propoxy]-4-oxo-chromene-2-carboxylate CAS Name: sodium 6-[2-hydroxy-3-(2-propylphenoxy)propoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: sodium 6-[2-hydroxy-3-(2-propylphenoxy)propoxy]-4-oxochromene-2-carboxylate Traditional Name: sodium 6-[2-hydroxy-3-(2-propylphenoxy)propoxy]-4-keto-chromene-2-carboxylate Formula: C22H21NaO7 MolecularWeight: 420.38771

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OCC(COC2=CC3=C(C=C2)OC(=CC3=O)C(=O)[O-])O.[Na+]

Isomeric SMILES

CCCC1=CC=CC=C1OCC(COC2=CC3=C(C=C2)OC(=CC3=O)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C22H22O7.Na/c1-2-5-14-6-3-4-7-19(14)28-13-15(23)12-27-16-8-9-20-17(10-16)18(24)11-21(29-20)22(25)26;/h3-4,6-11,15,23H,2,5,12-13H2,1H3,(H,25,26);/q;+1/p-1