(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-fluoranyl-4,5-dimethoxy-benzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-fluoranyl-4,5-dimethoxy-benzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-fluoro-4,5-dimethoxy-benzenesulfonate CAS Name: 2-fluoro-4,5-dimethoxybenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-fluoro-4,5-dimethoxybenzenesulfonate Traditional Name: 2-fluoro-4,5-dimethoxy-benzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C17H15BrFNO6S MolecularWeight: 460.271503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=C(C=C(C(=C2)OC)OC)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=C(C=C(C(=C2)OC)OC)F

InChI

InChI=1S/C17H15BrFNO6S/c1-4-25-15-6-10(9-20)5-11(18)17(15)26-27(21,22)16-8-14(24-3)13(23-2)7-12(16)19/h5-8H,4H2,1-3H3