diethyl 2-[2-(2-bromophenyl)carbonyl-3-oxidanylidene-cyclohexyl]propanedioate

Systemtic Name: diethyl 2-[2-(2-bromophenyl)carbonyl-3-oxidanylidene-cyclohexyl]propanedioate Openeye Name: diethyl 2-[2-(2-bromobenzoyl)-3-oxo-cyclohexyl]propanedioate CAS Name: 2-[2-[(2-bromophenyl)-oxomethyl]-3-oxocyclohexyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(2-bromobenzoyl)-3-oxocyclohexyl]propanedioate Traditional Name: 2-[2-(2-bromobenzoyl)-3-keto-cyclohexyl]malonic acid diethyl ester Formula: C20H23BrO6 MolecularWeight: 439.29702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCCC(=O)C1C(=O)C2=CC=CC=C2Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1CCCC(=O)C1C(=O)C2=CC=CC=C2Br)C(=O)OCC

InChI

InChI=1S/C20H23BrO6/c1-3-26-19(24)17(20(25)27-4-2)13-9-7-11-15(22)16(13)18(23)12-8-5-6-10-14(12)21/h5-6,8,10,13,16-17H,3-4,7,9,11H2,1-2H3