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

Systemtic Name: sodium 5-[3-(4-ethylphenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: sodium 5-[3-(4-ethylphenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate CAS Name: sodium 5-[3-(4-ethylphenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: sodium 5-[3-(4-ethylphenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: sodium 5-[3-(4-ethylphenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylate Formula: C21H19NaO7 MolecularWeight: 406.36113

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)[O-])O.[Na+]

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C21H20O7.Na/c1-2-13-6-8-15(9-7-13)26-11-14(22)12-27-17-4-3-5-18-20(17)16(23)10-19(28-18)21(24)25;/h3-10,14,22H,2,11-12H2,1H3,(H,24,25);/q;+1/p-1