(2-bromanyl-4-cyano-6-ethoxy-phenyl) 5-chloranylthiophene-2-sulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 5-chloranylthiophene-2-sulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 5-chlorothiophene-2-sulfonate CAS Name: 5-chloro-2-thiophenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 5-chlorothiophene-2-sulfonate Traditional Name: 5-chlorothiophene-2-sulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C13H9BrClNO4S2 MolecularWeight: 422.70186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C13H9BrClNO4S2/c1-2-19-10-6-8(7-16)5-9(14)13(10)20-22(17,18)12-4-3-11(15)21-12/h3-6H,2H2,1H3