(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-chloranyl-5-methylsulfonyl-benzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-chloranyl-5-methylsulfonyl-benzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-chloro-5-methylsulfonyl-benzenesulfonate CAS Name: 2-chloro-5-methylsulfonylbenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-chloro-5-methylsulfonylbenzenesulfonate Traditional Name: 2-chloro-5-mesyl-benzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C16H13BrClNO6S2 MolecularWeight: 494.76452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrClNO6S2/c1-3-24-14-7-10(9-19)6-12(17)16(14)25-27(22,23)15-8-11(26(2,20)21)4-5-13(15)18/h4-8H,3H2,1-2H3