phenethyl 5-bromanylpentanoate

Systemtic Name: phenethyl 5-bromanylpentanoate Openeye Name: phenethyl 5-bromopentanoate CAS Name: 5-bromopentanoic acid phenethyl ester IUPAC Name: phenethyl 5-bromopentanoate Traditional Name: 5-bromovaleric acid phenethyl ester Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCCCBr

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCCCBr

InChI

InChI=1S/C13H17BrO2/c14-10-5-4-8-13(15)16-11-9-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2