(3-ethoxy-5-methyl-phenyl) 2-cyano-5-methyl-benzenesulfonate

Systemtic Name: (3-ethoxy-5-methyl-phenyl) 2-cyano-5-methyl-benzenesulfonate Openeye Name: (3-ethoxy-5-methyl-phenyl) 2-cyano-5-methyl-benzenesulfonate CAS Name: 2-cyano-5-methylbenzenesulfonic acid (3-ethoxy-5-methylphenyl) ester IUPAC Name: (3-ethoxy-5-methylphenyl) 2-cyano-5-methylbenzenesulfonate Traditional Name: 2-cyano-5-methyl-benzenesulfonic acid (3-ethoxy-5-methyl-phenyl) ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S/c1-4-21-15-7-13(3)8-16(10-15)22-23(19,20)17-9-12(2)5-6-14(17)11-18/h5-10H,4H2,1-3H3