(4-cyano-2-methyl-phenyl) methanesulfonate

Systemtic Name: (4-cyano-2-methyl-phenyl) methanesulfonate Openeye Name: (4-cyano-2-methyl-phenyl) methanesulfonate CAS Name: methanesulfonic acid (4-cyano-2-methylphenyl) ester IUPAC Name: (4-cyano-2-methylphenyl) methanesulfonate Traditional Name: methanesulfonic acid (4-cyano-2-methyl-phenyl) ester Formula: C9H9NO3S MolecularWeight: 211.23766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)OS(=O)(=O)C

InChI

InChI=1S/C9H9NO3S/c1-7-5-8(6-10)3-4-9(7)13-14(2,11)12/h3-5H,1-2H3