1-bromanylethanol; diethyl 2-bromanyl-2-pentyl-propanedioate

Systemtic Name: 1-bromanylethanol; diethyl 2-bromanyl-2-pentyl-propanedioate Openeye Name: 1-bromoethanol; diethyl 2-bromo-2-pentyl-propanedioate CAS Name: 1-bromoethanol; 2-bromo-2-pentylpropanedioic acid diethyl ester IUPAC Name: 1-bromoethanol; diethyl 2-bromo-2-pentylpropanedioate Traditional Name: 2-amyl-2-bromo-malonic acid diethyl ester; 1-bromoethanol Formula: C14H26Br2O5 MolecularWeight: 434.16124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)OCC)(C(=O)OCC)Br.CC(O)Br

Isomeric SMILES

CCCCCC(C(=O)OCC)(C(=O)OCC)Br.CC(O)Br

InChI

InChI=1S/C12H21BrO4.C2H5BrO/c1-4-7-8-9-12(13,10(14)16-5-2)11(15)17-6-3;1-2(3)4/h4-9H2,1-3H3;2,4H,1H3