[(E)-4-bromanylbut-2-enyl] 4-methylbenzoate

Systemtic Name: [(E)-4-bromanylbut-2-enyl] 4-methylbenzoate Openeye Name: [(E)-4-bromobut-2-enyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(E)-4-bromobut-2-enyl] ester IUPAC Name: [(E)-4-bromobut-2-enyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(E)-4-bromobut-2-enyl] ester Formula: C12H13BrO2 MolecularWeight: 269.13442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC=CCBr

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC/C=C/CBr

InChI

InChI=1S/C12H13BrO2/c1-10-4-6-11(7-5-10)12(14)15-9-3-2-8-13/h2-7H,8-9H2,1H3/b3-2+