3-bromanyl-5-methoxy-4-phenethyloxy-benzoate

Systemtic Name: 3-bromanyl-5-methoxy-4-phenethyloxy-benzoate Openeye Name: 3-bromo-5-methoxy-4-phenethyloxy-benzoate CAS Name: 3-bromo-5-methoxy-4-phenethyloxybenzoate IUPAC Name: 3-bromo-5-methoxy-4-phenethyloxybenzoate Traditional Name: 3-bromo-5-methoxy-4-phenethyloxy-benzoate Formula: C16H14BrO4- MolecularWeight: 350.18396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)[O-])Br)OCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)[O-])Br)OCCC2=CC=CC=C2

InChI

InChI=1S/C16H15BrO4/c1-20-14-10-12(16(18)19)9-13(17)15(14)21-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,18,19)/p-1