(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2,5-dimethylbenzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2,5-dimethylbenzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-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=C(C=CC(=C2)C)C

Isomeric SMILES

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

InChI

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