3-(5-bromanyl-2-butoxy-phenyl)propanoic acid

Systemtic Name: 3-(5-bromanyl-2-butoxy-phenyl)propanoic acid Openeye Name: 3-(5-bromo-2-butoxy-phenyl)propanoic acid CAS Name: 3-(5-bromo-2-butoxyphenyl)propanoic acid IUPAC Name: 3-(5-bromo-2-butoxyphenyl)propanoic acid Traditional Name: 3-(5-bromo-2-butoxy-phenyl)propionic acid Formula: C13H17BrO3 MolecularWeight: 301.17628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)CCC(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)CCC(=O)O

InChI

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