6-[4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]-2-phenethyl-cyclopenten-1-yl]sulfanylhexanoic acid

Systemtic Name: 6-[4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]-2-phenethyl-cyclopenten-1-yl]sulfanylhexanoic acid Openeye Name: 6-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-2-phenethyl-cyclopenten-1-yl]sulfanylhexanoic acid CAS Name: 6-[[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-2-phenethyl-1-cyclopentenyl]thio]hexanoic acid IUPAC Name: 6-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-2-phenethylcyclopenten-1-yl]sulfanylhexanoic acid Traditional Name: 6-[[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-2-phenethyl-cyclopenten-1-yl]thio]hexanoic acid Formula: C27H40O4S MolecularWeight: 460.6691

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=C1SCCCCCC(=O)O)CCC2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(=C1SCCCCCC(=O)O)CCC2=CC=CC=C2)O)O

InChI

InChI=1S/C27H40O4S/c1-2-3-6-13-23(28)17-18-24-25(29)20-22(16-15-21-11-7-4-8-12-21)27(24)32-19-10-5-9-14-26(30)31/h4,7-8,11-12,17-18,23-25,28-29H,2-3,5-6,9-10,13-16,19-20H2,1H3,(H,30,31)/b18-17+