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

Systemtic Name: ethyl 5-[2-(4-bromanylphenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 5-[2-(4-bromophenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate CAS Name: 5-[2-(4-bromophenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-bromophenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: 5-[2-(4-bromophenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C21H19BrO7 MolecularWeight: 463.27536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(C)(O)OC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(C)(O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrO7/c1-3-26-20(24)18-11-15(23)19-16(5-4-6-17(19)28-18)27-12-21(2,25)29-14-9-7-13(22)8-10-14/h4-11,25H,3,12H2,1-2H3