3-(3-bromanyl-4,5-diethoxy-phenyl)propanoic acid

Systemtic Name: 3-(3-bromanyl-4,5-diethoxy-phenyl)propanoic acid Openeye Name: 3-(3-bromo-4,5-diethoxy-phenyl)propanoic acid CAS Name: 3-(3-bromo-4,5-diethoxyphenyl)propanoic acid IUPAC Name: 3-(3-bromo-4,5-diethoxyphenyl)propanoic acid Traditional Name: 3-(3-bromo-4,5-diethoxy-phenyl)propionic acid Formula: C13H17BrO4 MolecularWeight: 317.17568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CCC(=O)O)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CCC(=O)O)Br)OCC

InChI

InChI=1S/C13H17BrO4/c1-3-17-11-8-9(5-6-12(15)16)7-10(14)13(11)18-4-2/h7-8H,3-6H2,1-2H3,(H,15,16)