(3-bromophenyl) 6-(butanoyloxymethyl)-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (3-bromophenyl) 6-(butanoyloxymethyl)-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (3-bromophenyl) 6-(butanoyloxymethyl)-2-oxo-chromene-3-carboxylate CAS Name: 2-oxo-6-(1-oxobutoxymethyl)-1-benzopyran-3-carboxylic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 6-(butanoyloxymethyl)-2-oxochromene-3-carboxylate Traditional Name: 6-(butyryloxymethyl)-2-keto-chromene-3-carboxylic acid (3-bromophenyl) ester Formula: C21H17BrO6 MolecularWeight: 445.26008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC(=CC=C3)Br

Isomeric SMILES

CCCC(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H17BrO6/c1-2-4-19(23)26-12-13-7-8-18-14(9-13)10-17(21(25)28-18)20(24)27-16-6-3-5-15(22)11-16/h3,5-11H,2,4,12H2,1H3