6-[5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-2-(2-methylpentan-2-yl)-4-oxidanyl-cyclopenten-1-yl]sulfanylhexanoic acid

Systemtic Name: 6-[5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-2-(2-methylpentan-2-yl)-4-oxidanyl-cyclopenten-1-yl]sulfanylhexanoic acid Openeye Name: 6-[2-(1,1-dimethylbutyl)-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid CAS Name: 6-[[4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-(2-methylpentan-2-yl)-1-cyclopentenyl]thio]hexanoic acid IUPAC Name: 6-[4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-(2-methylpentan-2-yl)cyclopenten-1-yl]sulfanylhexanoic acid Traditional Name: 6-[[2-(1,1-dimethylbutyl)-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]thio]hexanoic acid Formula: C27H48O4S MolecularWeight: 468.73262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(C=CC1C(CC(=C1SCCCCCC(=O)O)C(C)(C)CCC)O)O

Isomeric SMILES

CCCCC(C)CC(/C=C/C1C(CC(=C1SCCCCCC(=O)O)C(C)(C)CCC)O)O

InChI

InChI=1S/C27H48O4S/c1-6-8-12-20(3)18-21(28)14-15-22-24(29)19-23(27(4,5)16-7-2)26(22)32-17-11-9-10-13-25(30)31/h14-15,20-22,24,28-29H,6-13,16-19H2,1-5H3,(H,30,31)/b15-14+