3-bromanyl-4-[2-(2,6-dimethylphenoxy)ethoxy]benzoate

Systemtic Name: 3-bromanyl-4-[2-(2,6-dimethylphenoxy)ethoxy]benzoate Openeye Name: 3-bromo-4-[2-(2,6-dimethylphenoxy)ethoxy]benzoate CAS Name: 3-bromo-4-[2-(2,6-dimethylphenoxy)ethoxy]benzoate IUPAC Name: 3-bromo-4-[2-(2,6-dimethylphenoxy)ethoxy]benzoate Traditional Name: 3-bromo-4-[2-(2,6-dimethylphenoxy)ethoxy]benzoate Formula: C17H16BrO4- MolecularWeight: 364.21054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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