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

Systemtic Name: (4-cyano-2-ethoxy-phenyl) 2-bromanyl-4-methyl-benzenesulfonate Openeye Name: (4-cyano-2-ethoxy-phenyl) 2-bromo-4-methyl-benzenesulfonate CAS Name: 2-bromo-4-methylbenzenesulfonic acid (4-cyano-2-ethoxyphenyl) ester IUPAC Name: (4-cyano-2-ethoxyphenyl) 2-bromo-4-methylbenzenesulfonate Traditional Name: 2-bromo-4-methyl-benzenesulfonic acid (4-cyano-2-ethoxy-phenyl) ester Formula: C16H14BrNO4S MolecularWeight: 396.25566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO4S/c1-3-21-15-9-12(10-18)5-6-14(15)22-23(19,20)16-7-4-11(2)8-13(16)17/h4-9H,3H2,1-2H3