dimethyl 2-[(E)-4-bromanylbut-2-enyl]-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-[(E)-4-bromanylbut-2-enyl]-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-[(E)-4-bromobut-2-enyl]-2-prop-2-ynyl-propanedioate CAS Name: 2-[(E)-4-bromobut-2-enyl]-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-4-bromobut-2-enyl]-2-prop-2-ynylpropanedioate Traditional Name: 2-[(E)-4-bromobut-2-enyl]-2-propargyl-malonic acid dimethyl ester Formula: C12H15BrO4 MolecularWeight: 303.1491

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CCBr)(CC#C)C(=O)OC

Isomeric SMILES

COC(=O)C(C/C=C/CBr)(CC#C)C(=O)OC

InChI

InChI=1S/C12H15BrO4/c1-4-7-12(10(14)16-2,11(15)17-3)8-5-6-9-13/h1,5-6H,7-9H2,2-3H3/b6-5+