dimethyl 2-(4-bromophenyl)carbonyl-2-(3-oxidanylidenebutyl)propanedioate

Systemtic Name: dimethyl 2-(4-bromophenyl)carbonyl-2-(3-oxidanylidenebutyl)propanedioate Openeye Name: dimethyl 2-(4-bromobenzoyl)-2-(3-oxobutyl)propanedioate CAS Name: 2-[(4-bromophenyl)-oxomethyl]-2-(3-oxobutyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(4-bromobenzoyl)-2-(3-oxobutyl)propanedioate Traditional Name: 2-(4-bromobenzoyl)-2-(3-ketobutyl)malonic acid dimethyl ester Formula: C16H17BrO6 MolecularWeight: 385.20658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(C(=O)C1=CC=C(C=C1)Br)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)CCC(C(=O)C1=CC=C(C=C1)Br)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H17BrO6/c1-10(18)8-9-16(14(20)22-2,15(21)23-3)13(19)11-4-6-12(17)7-5-11/h4-7H,8-9H2,1-3H3