7-[3-(2-hydroxyethylsulfanyl)-2-[(E)-oct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-oxidanyl-heptanoic acid

Systemtic Name: 7-[3-(2-hydroxyethylsulfanyl)-2-[(E)-oct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-oxidanyl-heptanoic acid Openeye Name: 2-hydroxy-7-[3-(2-hydroxyethylsulfanyl)-2-[(E)-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 2-hydroxy-7-[3-(2-hydroxyethylthio)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 2-hydroxy-7-[3-(2-hydroxyethylsulfanyl)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 2-hydroxy-7-[3-(2-hydroxyethylthio)-5-keto-2-[(E)-oct-1-enyl]cyclopentyl]enanthic acid Formula: C22H38O5S MolecularWeight: 414.59912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1C(CC(=O)C1CCCCCC(C(=O)O)O)SCCO

Isomeric SMILES

CCCCCC/C=C/C1C(CC(=O)C1CCCCCC(C(=O)O)O)SCCO

InChI

InChI=1S/C22H38O5S/c1-2-3-4-5-6-8-12-18-17(20(25)16-21(18)28-15-14-23)11-9-7-10-13-19(24)22(26)27/h8,12,17-19,21,23-24H,2-7,9-11,13-16H2,1H3,(H,26,27)/b12-8+