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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)OCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)OCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

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