5-methyl-7-[(1S,2R,3R)-3-oxidanyl-2-(2-oxidanylheptylsulfanyl)-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 5-methyl-7-[(1S,2R,3R)-3-oxidanyl-2-(2-oxidanylheptylsulfanyl)-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[(1S,2R,3R)-3-hydroxy-2-(2-hydroxyheptylsulfanyl)-5-oxo-cyclopentyl]-5-methyl-heptanoic acid CAS Name: 7-[(1S,2R,3R)-3-hydroxy-2-(2-hydroxyheptylthio)-5-oxocyclopentyl]-5-methylheptanoic acid IUPAC Name: 7-[(1S,2R,3R)-3-hydroxy-2-(2-hydroxyheptylsulfanyl)-5-oxocyclopentyl]-5-methylheptanoic acid Traditional Name: 7-[(1S,2R,3R)-3-hydroxy-2-(2-hydroxyheptylthio)-5-keto-cyclopentyl]-5-methyl-enanthic acid Formula: C20H36O5S MolecularWeight: 388.56184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CSC1C(CC(=O)C1CCC(C)CCCC(=O)O)O)O

Isomeric SMILES

CCCCCC(CS[C@H]1[C@@H](CC(=O)[C@@H]1CCC(C)CCCC(=O)O)O)O

InChI

InChI=1S/C20H36O5S/c1-3-4-5-8-15(21)13-26-20-16(17(22)12-18(20)23)11-10-14(2)7-6-9-19(24)25/h14-16,18,20-21,23H,3-13H2,1-2H3,(H,24,25)/t14?,15?,16-,18+,20+/m0/s1