3-bromanyl-5-ethoxy-4-pentoxy-benzoate

Systemtic Name: 3-bromanyl-5-ethoxy-4-pentoxy-benzoate Openeye Name: 3-bromo-5-ethoxy-4-pentoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-pentoxybenzoate IUPAC Name: 3-bromo-5-ethoxy-4-pentoxybenzoate Traditional Name: 4-amoxy-3-bromo-5-ethoxy-benzoate Formula: C14H18BrO4- MolecularWeight: 330.19432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Br)C(=O)[O-])OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Br)C(=O)[O-])OCC

InChI

InChI=1S/C14H19BrO4/c1-3-5-6-7-19-13-11(15)8-10(14(16)17)9-12(13)18-4-2/h8-9H,3-7H2,1-2H3,(H,16,17)/p-1