(4-cyano-2-ethoxy-phenyl) 4-methylsulfonylbenzenesulfonate

Systemtic Name: (4-cyano-2-ethoxy-phenyl) 4-methylsulfonylbenzenesulfonate Openeye Name: (4-cyano-2-ethoxy-phenyl) 4-methylsulfonylbenzenesulfonate CAS Name: 4-methylsulfonylbenzenesulfonic acid (4-cyano-2-ethoxyphenyl) ester IUPAC Name: (4-cyano-2-ethoxyphenyl) 4-methylsulfonylbenzenesulfonate Traditional Name: 4-mesylbenzenesulfonic acid (4-cyano-2-ethoxy-phenyl) ester Formula: C16H15NO6S2 MolecularWeight: 381.4234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO6S2/c1-3-22-16-10-12(11-17)4-9-15(16)23-25(20,21)14-7-5-13(6-8-14)24(2,18)19/h4-10H,3H2,1-2H3