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

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-cyanobenzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C16H11BrN2O4S MolecularWeight: 407.23854

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN2O4S/c1-2-22-15-8-12(10-19)7-14(17)16(15)23-24(20,21)13-5-3-11(9-18)4-6-13/h3-8H,2H2,1H3