2-[3-[2-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]sulfanylpropylsulfanyl]ethanoic acid

Systemtic Name: 2-[3-[2-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]sulfanylpropylsulfanyl]ethanoic acid Openeye Name: 2-[3-[3-hydroxy-2-[(E)-3-hydroxy-5-methyl-non-1-enyl]-5-oxo-cyclopentyl]sulfanylpropylsulfanyl]acetic acid CAS Name: 2-[3-[[3-hydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]thio]propylthio]acetic acid IUPAC Name: 2-[3-[3-hydroxy-2-[(E)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid Traditional Name: 2-[3-[[3-hydroxy-2-[(E)-3-hydroxy-5-methyl-non-1-enyl]-5-keto-cyclopentyl]thio]propylthio]acetic acid Formula: C20H34O5S2 MolecularWeight: 418.61096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(C=CC1C(CC(=O)C1SCCCSCC(=O)O)O)O

Isomeric SMILES

CCCCC(C)CC(/C=C/C1C(CC(=O)C1SCCCSCC(=O)O)O)O

InChI

InChI=1S/C20H34O5S2/c1-3-4-6-14(2)11-15(21)7-8-16-17(22)12-18(23)20(16)27-10-5-9-26-13-19(24)25/h7-8,14-17,20-22H,3-6,9-13H2,1-2H3,(H,24,25)/b8-7+