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

Systemtic Name: 6-[5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-4-oxidanyl-2-phenethyl-cyclopenten-1-yl]sulfanylhexanoic acid Openeye Name: 6-[4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]-2-phenethyl-cyclopenten-1-yl]sulfanylhexanoic acid CAS Name: 6-[[4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-phenethyl-1-cyclopentenyl]thio]hexanoic acid IUPAC Name: 6-[4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-phenethylcyclopenten-1-yl]sulfanylhexanoic acid Traditional Name: 6-[[4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]-2-phenethyl-cyclopenten-1-yl]thio]hexanoic acid Formula: C29H44O4S MolecularWeight: 488.72226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44O4S/c1-3-4-11-22(2)20-25(30)17-18-26-27(31)21-24(16-15-23-12-7-5-8-13-23)29(26)34-19-10-6-9-14-28(32)33/h5,7-8,12-13,17-18,22,25-27,30-31H,3-4,6,9-11,14-16,19-21H2,1-2H3,(H,32,33)/b18-17+