methyl 2-bromanyl-2-(4-butoxyphenyl)ethanoate

Systemtic Name: methyl 2-bromanyl-2-(4-butoxyphenyl)ethanoate Openeye Name: methyl 2-bromo-2-(4-butoxyphenyl)acetate CAS Name: 2-bromo-2-(4-butoxyphenyl)acetic acid methyl ester IUPAC Name: methyl 2-bromo-2-(4-butoxyphenyl)acetate Traditional Name: 2-bromo-2-(4-butoxyphenyl)acetic acid methyl ester Formula: C13H17BrO3 MolecularWeight: 301.17628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C(=O)OC)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(C(=O)OC)Br

InChI

InChI=1S/C13H17BrO3/c1-3-4-9-17-11-7-5-10(6-8-11)12(14)13(15)16-2/h5-8,12H,3-4,9H2,1-2H3