3-bromanyl-5-ethoxy-4-hexoxy-benzoate

Systemtic Name: 3-bromanyl-5-ethoxy-4-hexoxy-benzoate Openeye Name: 3-bromo-5-ethoxy-4-hexoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-hexoxybenzoate IUPAC Name: 3-bromo-5-ethoxy-4-hexoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-hexoxy-benzoate Formula: C15H20BrO4- MolecularWeight: 344.2209

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)C(=O)[O-])OCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)C(=O)[O-])OCC

InChI

InChI=1S/C15H21BrO4/c1-3-5-6-7-8-20-14-12(16)9-11(15(17)18)10-13(14)19-4-2/h9-10H,3-8H2,1-2H3,(H,17,18)/p-1