(E)-6-[2-butanoyloxy-5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-4-oxidanyl-cyclopenten-1-yl]sulfanylhex-2-enoate

Systemtic Name: (E)-6-[2-butanoyloxy-5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-4-oxidanyl-cyclopenten-1-yl]sulfanylhex-2-enoate Openeye Name: (E)-6-[2-butanoyloxy-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]sulfanylhex-2-enoate CAS Name: (E)-6-[[4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-(1-oxobutoxy)-1-cyclopentenyl]thio]-2-hexenoate IUPAC Name: (E)-6-[2-butanoyloxy-4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopenten-1-yl]sulfanylhex-2-enoate Traditional Name: (E)-6-[[2-butyryloxy-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]thio]hex-2-enoate Formula: C25H39O6S- MolecularWeight: 467.63856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(C=CC1C(CC(=C1SCCCC=CC(=O)[O-])OC(=O)CCC)O)O

Isomeric SMILES

CCCCC(C)CC(/C=C/C1C(CC(=C1SCCC/C=C/C(=O)[O-])OC(=O)CCC)O)O

InChI

InChI=1S/C25H40O6S/c1-4-6-11-18(3)16-19(26)13-14-20-21(27)17-22(31-24(30)10-5-2)25(20)32-15-9-7-8-12-23(28)29/h8,12-14,18-21,26-27H,4-7,9-11,15-17H2,1-3H3,(H,28,29)/p-1/b12-8+,14-13+