(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3,4-dimethylbenzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3,4-dimethylbenzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO4S/c1-4-22-16-9-13(10-19)8-15(18)17(16)23-24(20,21)14-6-5-11(2)12(3)7-14/h5-9H,4H2,1-3H3