3-(3-bromanyl-4-butoxy-phenyl)propanoate

Systemtic Name: 3-(3-bromanyl-4-butoxy-phenyl)propanoate Openeye Name: 3-(3-bromo-4-butoxy-phenyl)propanoate CAS Name: 3-(3-bromo-4-butoxyphenyl)propanoate IUPAC Name: 3-(3-bromo-4-butoxyphenyl)propanoate Traditional Name: 3-(3-bromo-4-butoxy-phenyl)propionate Formula: C13H16BrO3- MolecularWeight: 300.16834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)[O-])Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)[O-])Br

InChI

InChI=1S/C13H17BrO3/c1-2-3-8-17-12-6-4-10(9-11(12)14)5-7-13(15)16/h4,6,9H,2-3,5,7-8H2,1H3,(H,15,16)/p-1