2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-2-propyl-propanedioate

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-2-propyl-propanedioate Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]-2-propyl-propanedioate CAS Name: 2-[2-(4-bromophenyl)-2-oxoethyl]-2-propylpropanedioate IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]-2-propylpropanedioate Traditional Name: 2-[2-(4-bromophenyl)-2-keto-ethyl]-2-propyl-malonate Formula: C14H13BrO5-2 MolecularWeight: 341.15402

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)C1=CC=C(C=C1)Br)(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC(CC(=O)C1=CC=C(C=C1)Br)(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H15BrO5/c1-2-7-14(12(17)18,13(19)20)8-11(16)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H,17,18)(H,19,20)/p-2