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

Systemtic Name: 6-[2-ethyl-4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid Openeye Name: 6-[2-ethyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid CAS Name: 6-[[2-ethyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-1-cyclopentenyl]thio]hexanoic acid IUPAC Name: 6-[2-ethyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid Traditional Name: 6-[[2-ethyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]thio]hexanoic acid Formula: C21H36O4S MolecularWeight: 384.57314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36O4S/c1-3-5-7-10-17(22)12-13-18-19(23)15-16(4-2)21(18)26-14-9-6-8-11-20(24)25/h12-13,17-19,22-23H,3-11,14-15H2,1-2H3,(H,24,25)/b13-12+