(3-ethoxy-5-methyl-phenyl) 2-cyanobenzenesulfonate

Systemtic Name: (3-ethoxy-5-methyl-phenyl) 2-cyanobenzenesulfonate Openeye Name: (3-ethoxy-5-methyl-phenyl) 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid (3-ethoxy-5-methylphenyl) ester IUPAC Name: (3-ethoxy-5-methylphenyl) 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid (3-ethoxy-5-methyl-phenyl) ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C16H15NO4S/c1-3-20-14-8-12(2)9-15(10-14)21-22(18,19)16-7-5-4-6-13(16)11-17/h4-10H,3H2,1-2H3