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

Systemtic Name: 6-[2-butanoyloxy-5-[(E)-5-ethoxy-3-oxidanyl-pent-1-enyl]-4-oxidanyl-cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[2-butanoyloxy-5-[(E)-5-ethoxy-3-hydroxy-pent-1-enyl]-4-hydroxy-cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[5-[(E)-5-ethoxy-3-hydroxypent-1-enyl]-4-hydroxy-2-(1-oxobutoxy)-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[2-butanoyloxy-5-[(E)-5-ethoxy-3-hydroxypent-1-enyl]-4-hydroxycyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[2-butyryloxy-5-[(E)-5-ethoxy-3-hydroxy-pent-1-enyl]-4-hydroxy-cyclopenten-1-yl]thio]hexanoate Formula: C22H35O7S- MolecularWeight: 443.5741

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C(C(C1)O)C=CC(CCOCC)O)SCCCCCC(=O)[O-]

Isomeric SMILES

CCCC(=O)OC1=C(C(C(C1)O)/C=C/C(CCOCC)O)SCCCCCC(=O)[O-]

InChI

InChI=1S/C22H36O7S/c1-3-8-21(27)29-19-15-18(24)17(11-10-16(23)12-13-28-4-2)22(19)30-14-7-5-6-9-20(25)26/h10-11,16-18,23-24H,3-9,12-15H2,1-2H3,(H,25,26)/p-1/b11-10+