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

Systemtic Name: sodium 5-[3-(4-bromanylphenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: sodium 5-[3-(4-bromophenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate CAS Name: sodium 5-[3-(4-bromophenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: sodium 5-[3-(4-bromophenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: sodium 5-[3-(4-bromophenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylate Formula: C19H14BrNaO7 MolecularWeight: 457.20403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrO7.Na/c20-11-4-6-13(7-5-11)25-9-12(21)10-26-15-2-1-3-16-18(15)14(22)8-17(27-16)19(23)24;/h1-8,12,21H,9-10H2,(H,23,24);/q;+1/p-1