(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-chloranyl-4-methyl-benzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-chloranyl-4-methyl-benzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-chloro-4-methyl-benzenesulfonate CAS Name: 2-chloro-4-methylbenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-chloro-4-methylbenzenesulfonate Traditional Name: 2-chloro-4-methyl-benzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C16H13BrClNO4S MolecularWeight: 430.70072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrClNO4S/c1-3-22-14-8-11(9-19)7-12(17)16(14)23-24(20,21)15-5-4-10(2)6-13(15)18/h4-8H,3H2,1-2H3