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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OCCOC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)OCCOC2=CC=CC=C2C(=O)[O-]

InChI

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