diethyl 2-[(4-bromophenyl)methyl]-2-octyl-propanedioate

Systemtic Name: diethyl 2-[(4-bromophenyl)methyl]-2-octyl-propanedioate Openeye Name: diethyl 2-[(4-bromophenyl)methyl]-2-octyl-propanedioate CAS Name: 2-[(4-bromophenyl)methyl]-2-octylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-bromophenyl)methyl]-2-octylpropanedioate Traditional Name: 2-(4-bromobenzyl)-2-octyl-malonic acid diethyl ester Formula: C22H33BrO4 MolecularWeight: 441.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC1=CC=C(C=C1)Br)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCC(CC1=CC=C(C=C1)Br)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C22H33BrO4/c1-4-7-8-9-10-11-16-22(20(24)26-5-2,21(25)27-6-3)17-18-12-14-19(23)15-13-18/h12-15H,4-11,16-17H2,1-3H3