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

Systemtic Name: 4-cyano-2-ethyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-cyano-2-ethyl-5-methylsulfonyl-benzoic acid CAS Name: 4-cyano-2-ethyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-cyano-2-ethyl-5-methylsulfonylbenzoic acid Traditional Name: 4-cyano-2-ethyl-5-mesyl-benzoic acid Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C#N)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C#N)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C11H11NO4S/c1-3-7-4-8(6-12)10(17(2,15)16)5-9(7)11(13)14/h4-5H,3H2,1-2H3,(H,13,14)