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

Systemtic Name: 6-[2-(3,3-dimethylbutyl)-4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid Openeye Name: 6-[2-(3,3-dimethylbutyl)-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid CAS Name: 6-[[2-(3,3-dimethylbutyl)-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-1-cyclopentenyl]thio]hexanoic acid IUPAC Name: 6-[2-(3,3-dimethylbutyl)-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid Traditional Name: 6-[[2-(3,3-dimethylbutyl)-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]thio]hexanoic acid Formula: C25H44O4S MolecularWeight: 440.67946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=C1SCCCCCC(=O)O)CCC(C)(C)C)O)O

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(=C1SCCCCCC(=O)O)CCC(C)(C)C)O)O

InChI

InChI=1S/C25H44O4S/c1-5-6-8-11-20(26)13-14-21-22(27)18-19(15-16-25(2,3)4)24(21)30-17-10-7-9-12-23(28)29/h13-14,20-22,26-27H,5-12,15-18H2,1-4H3,(H,28,29)/b14-13+