methyl 3-(2-bromoethyl)-4-propyl-benzoate

Systemtic Name: methyl 3-(2-bromoethyl)-4-propyl-benzoate Openeye Name: methyl 3-(2-bromoethyl)-4-propyl-benzoate CAS Name: 3-(2-bromoethyl)-4-propylbenzoic acid methyl ester IUPAC Name: methyl 3-(2-bromoethyl)-4-propylbenzoate Traditional Name: 3-(2-bromoethyl)-4-propyl-benzoic acid methyl ester Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C(=O)OC)CCBr

Isomeric SMILES

CCCC1=C(C=C(C=C1)C(=O)OC)CCBr

InChI

InChI=1S/C13H17BrO2/c1-3-4-10-5-6-12(13(15)16-2)9-11(10)7-8-14/h5-6,9H,3-4,7-8H2,1-2H3