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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CSC1C(CC(=O)C1CCCCCCC(=O)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H36O5S/c1-3-4-9-12-20(2,25)14-26-19-15(16(21)13-17(19)22)10-7-5-6-8-11-18(23)24/h15,17,19,22,25H,3-14H2,1-2H3,(H,23,24)/t15-,17+,19+,20?/m0/s1