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

Systemtic Name: sodium 4-oxidanylidene-5-[2-oxidanyl-3-[3-(trifluoromethyl)phenoxy]propoxy]chromene-2-carboxylate Openeye Name: sodium 5-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]-4-oxo-chromene-2-carboxylate CAS Name: sodium 5-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: sodium 5-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]-4-oxochromene-2-carboxylate Traditional Name: sodium 5-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]-4-keto-chromene-2-carboxylate Formula: C20H14F3NaO7 MolecularWeight: 446.30594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F3O7.Na/c21-20(22,23)11-3-1-4-13(7-11)28-9-12(24)10-29-15-5-2-6-16-18(15)14(25)8-17(30-16)19(26)27;/h1-8,12,24H,9-10H2,(H,26,27);/q;+1/p-1