6-cyano-6-phenyl-6-propylsulfonyl-hexanoic acid

Systemtic Name: 6-cyano-6-phenyl-6-propylsulfonyl-hexanoic acid Openeye Name: 6-cyano-6-phenyl-6-propylsulfonyl-hexanoic acid CAS Name: 6-cyano-6-phenyl-6-propylsulfonylhexanoic acid IUPAC Name: 6-cyano-6-phenyl-6-propylsulfonylhexanoic acid Traditional Name: 6-cyano-6-phenyl-6-propylsulfonyl-hexanoic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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