6-[2-butanoyloxy-4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]sulfanylhexanoate

Systemtic Name: 6-[2-butanoyloxy-4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[2-butanoyloxy-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-2-(1-oxobutoxy)-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[2-butanoyloxy-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[2-butyryloxy-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]thio]hexanoate Formula: C23H37O6S- MolecularWeight: 441.60128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=C1SCCCCCC(=O)[O-])OC(=O)CCC)O)O

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(=C1SCCCCCC(=O)[O-])OC(=O)CCC)O)O

InChI

InChI=1S/C23H38O6S/c1-3-5-7-11-17(24)13-14-18-19(25)16-20(29-22(28)10-4-2)23(18)30-15-9-6-8-12-21(26)27/h13-14,17-19,24-25H,3-12,15-16H2,1-2H3,(H,26,27)/p-1/b14-13+