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

Systemtic Name: 6-[5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-4-oxidanyl-cyclopenten-1-yl]sulfanylhexanoic acid Openeye Name: 6-[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]-1-cyclopentenyl]thio]hexanoic acid IUPAC Name: 6-[4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid Traditional Name: 6-[[4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]thio]hexanoic acid Formula: C21H36O4S MolecularWeight: 384.57314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36O4S/c1-3-4-8-16(2)15-17(22)10-11-18-19(23)12-13-20(18)26-14-7-5-6-9-21(24)25/h10-11,13,16-19,22-23H,3-9,12,14-15H2,1-2H3,(H,24,25)/b11-10+