(2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-methoxybenzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-methoxybenzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C16H14BrNO5S MolecularWeight: 412.25506

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO5S/c1-3-22-15-9-11(10-18)8-14(17)16(15)23-24(19,20)13-6-4-12(21-2)5-7-13/h4-9H,3H2,1-2H3