3-bromanyl-4-[2-(3,5-dimethylphenoxy)ethoxy]benzoate

Systemtic Name: 3-bromanyl-4-[2-(3,5-dimethylphenoxy)ethoxy]benzoate Openeye Name: 3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]benzoate CAS Name: 3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]benzoate IUPAC Name: 3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]benzoate Traditional Name: 3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]benzoate Formula: C17H16BrO4- MolecularWeight: 364.21054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC2=C(C=C(C=C2)C(=O)[O-])Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC2=C(C=C(C=C2)C(=O)[O-])Br)C

InChI

InChI=1S/C17H17BrO4/c1-11-7-12(2)9-14(8-11)21-5-6-22-16-4-3-13(17(19)20)10-15(16)18/h3-4,7-10H,5-6H2,1-2H3,(H,19,20)/p-1