3-bromanyl-5-ethoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: 3-bromanyl-5-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: 3-bromo-5-ethoxy-4-isobutoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-(2-methylpropoxy)benzoate IUPAC Name: 3-bromo-5-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-bromo-5-ethoxy-4-isobutoxy-benzoate Formula: C13H16BrO4- MolecularWeight: 316.16774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)[O-])Br)OCC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)[O-])Br)OCC(C)C

InChI

InChI=1S/C13H17BrO4/c1-4-17-11-6-9(13(15)16)5-10(14)12(11)18-7-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,15,16)/p-1