3-bromanyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: 3-bromanyl-5-ethoxy-4-propoxy-benzoate Openeye Name: 3-bromo-5-ethoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-propoxybenzoate IUPAC Name: 3-bromo-5-ethoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-propoxy-benzoate Formula: C12H14BrO4- MolecularWeight: 302.14116

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)[O-])OCC

InChI

InChI=1S/C12H15BrO4/c1-3-5-17-11-9(13)6-8(12(14)15)7-10(11)16-4-2/h6-7H,3-5H2,1-2H3,(H,14,15)/p-1