3-bromanyl-4-butoxy-5-ethoxy-benzoate

Systemtic Name: 3-bromanyl-4-butoxy-5-ethoxy-benzoate Openeye Name: 3-bromo-4-butoxy-5-ethoxy-benzoate CAS Name: 3-bromo-4-butoxy-5-ethoxybenzoate IUPAC Name: 3-bromo-4-butoxy-5-ethoxybenzoate Traditional Name: 3-bromo-4-butoxy-5-ethoxy-benzoate Formula: C13H16BrO4- MolecularWeight: 316.16774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C(=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C(=O)[O-])OCC

InChI

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