6-[2-cyano-4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid

Systemtic Name: 6-[2-cyano-4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid Openeye Name: 6-[2-cyano-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid CAS Name: 6-[[2-cyano-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-1-cyclopentenyl]thio]hexanoic acid IUPAC Name: 6-[2-cyano-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid Traditional Name: 6-[[2-cyano-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]thio]hexanoic acid Formula: C20H31NO4S MolecularWeight: 381.52944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=C1SCCCCCC(=O)O)C#N)O)O

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(=C1SCCCCCC(=O)O)C#N)O)O

InChI

InChI=1S/C20H31NO4S/c1-2-3-5-8-16(22)10-11-17-18(23)13-15(14-21)20(17)26-12-7-4-6-9-19(24)25/h10-11,16-18,22-23H,2-9,12-13H2,1H3,(H,24,25)/b11-10+