3-[2-(4-bromanyl-2-ethyl-phenoxy)ethoxy]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)OCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)OCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

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