4-cyano-2-methyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-cyano-2-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-cyano-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 4-cyano-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-cyano-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 4-cyano-5-mesyl-2-methyl-benzoic acid Formula: C10H9NO4S MolecularWeight: 239.24776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C#N)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)C#N)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C10H9NO4S/c1-6-3-7(5-11)9(16(2,14)15)4-8(6)10(12)13/h3-4H,1-2H3,(H,12,13)