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

Systemtic Name: ethyl 5-[3-(4-bromanylphenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 5-[3-(4-bromophenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate CAS Name: 5-[3-(4-bromophenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-bromophenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: 5-[3-(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(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H19BrO7/c1-2-26-21(25)19-10-16(24)20-17(4-3-5-18(20)29-19)28-12-14(23)11-27-15-8-6-13(22)7-9-15/h3-10,14,23H,2,11-12H2,1H3