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

Systemtic Name: sodium 4-oxidanylidene-5-[2-oxidanyl-3-(2-propylphenoxy)propoxy]chromene-2-carboxylate Openeye Name: sodium 5-[2-hydroxy-3-(2-propylphenoxy)propoxy]-4-oxo-chromene-2-carboxylate CAS Name: sodium 5-[2-hydroxy-3-(2-propylphenoxy)propoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: sodium 5-[2-hydroxy-3-(2-propylphenoxy)propoxy]-4-oxochromene-2-carboxylate Traditional Name: sodium 5-[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=CC=CC3=C2C(=O)C=C(O3)C(=O)[O-])O.[Na+]

Isomeric SMILES

CCCC1=CC=CC=C1OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)[O-])O.[Na+]

InChI

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