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

Systemtic Name: sodium 5-[3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: sodium 5-[3-(2,4-dichlorophenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate CAS Name: sodium 5-[3-(2,4-dichlorophenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: sodium 5-[3-(2,4-dichlorophenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: sodium 5-[3-(2,4-dichlorophenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylate Formula: C19H13Cl2NaO7 MolecularWeight: 447.19809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OCC(COC3=C(C=C(C=C3)Cl)Cl)O)C(=O)C=C(O2)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)OCC(COC3=C(C=C(C=C3)Cl)Cl)O)C(=O)C=C(O2)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H14Cl2O7.Na/c20-10-4-5-14(12(21)6-10)26-8-11(22)9-27-15-2-1-3-16-18(15)13(23)7-17(28-16)19(24)25;/h1-7,11,22H,8-9H2,(H,24,25);/q;+1/p-1