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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)[O-])O.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)[O-])O.[Na+]

InChI

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