(3-bromophenyl) 6-(2,2-dimethylpropanoyloxymethyl)-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (3-bromophenyl) 6-(2,2-dimethylpropanoyloxymethyl)-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (3-bromophenyl) 6-(2,2-dimethylpropanoyloxymethyl)-2-oxo-chromene-3-carboxylate CAS Name: 6-[(2,2-dimethyl-1-oxopropoxy)methyl]-2-oxo-1-benzopyran-3-carboxylic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 6-(2,2-dimethylpropanoyloxymethyl)-2-oxochromene-3-carboxylate Traditional Name: 2-keto-6-(pivaloyloxymethyl)chromene-3-carboxylic acid (3-bromophenyl) ester Formula: C22H19BrO6 MolecularWeight: 459.28666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrO6/c1-22(2,3)21(26)27-12-13-7-8-18-14(9-13)10-17(20(25)29-18)19(24)28-16-6-4-5-15(23)11-16/h4-11H,12H2,1-3H3