6-cyano-7-methyl-6-methylsulfonyl-octanoic acid

Systemtic Name: 6-cyano-7-methyl-6-methylsulfonyl-octanoic acid Openeye Name: 6-cyano-7-methyl-6-methylsulfonyl-octanoic acid CAS Name: 6-cyano-7-methyl-6-methylsulfonyloctanoic acid IUPAC Name: 6-cyano-7-methyl-6-methylsulfonyloctanoic acid Traditional Name: 6-cyano-6-mesyl-7-methyl-caprylic acid Formula: C11H19NO4S MolecularWeight: 261.33786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCCC(=O)O)(C#N)S(=O)(=O)C

Isomeric SMILES

CC(C)C(CCCCC(=O)O)(C#N)S(=O)(=O)C

InChI

InChI=1S/C11H19NO4S/c1-9(2)11(8-12,17(3,15)16)7-5-4-6-10(13)14/h9H,4-7H2,1-3H3,(H,13,14)