(2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-fluoranyl-2-methyl-benzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-fluoranyl-2-methyl-benzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-fluoro-2-methyl-benzenesulfonate CAS Name: 4-fluoro-2-methylbenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-fluoro-2-methylbenzenesulfonate Traditional Name: 4-fluoro-2-methyl-benzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C16H13BrFNO4S MolecularWeight: 414.246123

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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)F)C

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrFNO4S/c1-3-22-14-8-11(9-19)7-13(17)16(14)23-24(20,21)15-5-4-12(18)6-10(15)2/h4-8H,3H2,1-2H3