6-cyano-6-methylsulfonyl-6-phenyl-hexanoic acid

Systemtic Name: 6-cyano-6-methylsulfonyl-6-phenyl-hexanoic acid Openeye Name: 6-cyano-6-methylsulfonyl-6-phenyl-hexanoic acid CAS Name: 6-cyano-6-methylsulfonyl-6-phenylhexanoic acid IUPAC Name: 6-cyano-6-methylsulfonyl-6-phenylhexanoic acid Traditional Name: 6-cyano-6-mesyl-6-phenyl-hexanoic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4S/c1-20(18,19)14(11-15,10-6-5-9-13(16)17)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,16,17)