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

Systemtic Name: 6-[2-ethanoyl-4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid Openeye Name: 6-[2-acetyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid CAS Name: 6-[[2-acetyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-1-cyclopentenyl]thio]hexanoic acid IUPAC Name: 6-[2-acetyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid Traditional Name: 6-[[2-acetyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]thio]hexanoic acid Formula: C21H34O5S MolecularWeight: 398.55666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O5S/c1-3-4-6-9-16(23)11-12-17-19(24)14-18(15(2)22)21(17)27-13-8-5-7-10-20(25)26/h11-12,16-17,19,23-24H,3-10,13-14H2,1-2H3,(H,25,26)/b12-11+