(E)-7-[(1S,2R)-2-(2-methyl-2-oxidanyl-octyl)sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[(1S,2R)-2-(2-methyl-2-oxidanyl-octyl)sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[(1S,2R)-3-hydroxy-2-(2-hydroxy-2-methyl-octyl)sulfanyl-5-oxo-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[(1S,2R)-3-hydroxy-2-[(2-hydroxy-2-methyloctyl)thio]-5-oxocyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[(1S,2R)-3-hydroxy-2-(2-hydroxy-2-methyloctyl)sulfanyl-5-oxocyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[(1S,2R)-3-hydroxy-2-[(2-hydroxy-2-methyl-octyl)thio]-5-keto-cyclopentyl]hept-5-enoic acid Formula: C21H36O5S MolecularWeight: 400.57254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(CSC1C(CC(=O)C1CC=CCCCC(=O)O)O)O

Isomeric SMILES

CCCCCCC(C)(CS[C@@H]1[C@H](C(=O)CC1O)C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C21H36O5S/c1-3-4-5-10-13-21(2,26)15-27-20-16(17(22)14-18(20)23)11-8-6-7-9-12-19(24)25/h6,8,16,18,20,23,26H,3-5,7,9-15H2,1-2H3,(H,24,25)/b8-6+/t16-,18?,20+,21?/m0/s1