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

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-ethanoylbenzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-acetylbenzenesulfonate CAS Name: 4-acetylbenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-acetylbenzenesulfonate Traditional Name: 4-acetylbenzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C17H14BrNO5S MolecularWeight: 424.26576

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrNO5S/c1-3-23-16-9-12(10-19)8-15(18)17(16)24-25(21,22)14-6-4-13(5-7-14)11(2)20/h4-9H,3H2,1-2H3