6-cyano-7-methyl-6-(phenylsulfonyl)octanoic acid

Systemtic Name: 6-cyano-7-methyl-6-(phenylsulfonyl)octanoic acid Openeye Name: 6-(benzenesulfonyl)-6-cyano-7-methyl-octanoic acid CAS Name: 6-(benzenesulfonyl)-6-cyano-7-methyloctanoic acid IUPAC Name: 6-(benzenesulfonyl)-6-cyano-7-methyloctanoic acid Traditional Name: 6-besyl-6-cyano-7-methyl-caprylic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCCC(=O)O)(C#N)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(CCCCC(=O)O)(C#N)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H21NO4S/c1-13(2)16(12-17,11-7-6-10-15(18)19)22(20,21)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-11H2,1-2H3,(H,18,19)