3-bromanyl-5-ethoxy-4-phenylmethoxy-benzoate

Systemtic Name: 3-bromanyl-5-ethoxy-4-phenylmethoxy-benzoate Openeye Name: 4-benzyloxy-3-bromo-5-ethoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-phenylmethoxybenzoate IUPAC Name: 3-bromo-5-ethoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-bromo-5-ethoxy-benzoate Formula: C16H14BrO4- MolecularWeight: 350.18396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)[O-])Br)OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)[O-])Br)OCC2=CC=CC=C2

InChI

InChI=1S/C16H15BrO4/c1-2-20-14-9-12(16(18)19)8-13(17)15(14)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,19)/p-1