(3-cyano-4-methyl-5-methylsulfonyl-phenyl) methanesulfinate

Systemtic Name: (3-cyano-4-methyl-5-methylsulfonyl-phenyl) methanesulfinate Openeye Name: (3-cyano-4-methyl-5-methylsulfonyl-phenyl) methanesulfinate CAS Name: methanesulfinic acid (3-cyano-4-methyl-5-methylsulfonylphenyl) ester IUPAC Name: (3-cyano-4-methyl-5-methylsulfonylphenyl) methanesulfinate Traditional Name: methanesulfinic acid (3-cyano-5-mesyl-4-methyl-phenyl) ester Formula: C10H11NO4S2 MolecularWeight: 273.32864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C#N)OS(=O)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1C#N)OS(=O)C)S(=O)(=O)C

InChI

InChI=1S/C10H11NO4S2/c1-7-8(6-11)4-9(15-16(2)12)5-10(7)17(3,13)14/h4-5H,1-3H3