3-bromanyl-5-ethoxy-4-phenethyloxy-benzoate

Systemtic Name: 3-bromanyl-5-ethoxy-4-phenethyloxy-benzoate Openeye Name: 3-bromo-5-ethoxy-4-phenethyloxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-phenethyloxybenzoate IUPAC Name: 3-bromo-5-ethoxy-4-phenethyloxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-phenethyloxy-benzoate Formula: C17H16BrO4- MolecularWeight: 364.21054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)[O-])Br)OCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)[O-])Br)OCCC2=CC=CC=C2

InChI

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