6-[(2S,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanyl-4-phenyl-but-1-enyl]cyclopentyl]sulfanylhexanoic acid

Systemtic Name: 6-[(2S,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanyl-4-phenyl-but-1-enyl]cyclopentyl]sulfanylhexanoic acid Openeye Name: 6-[(2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-phenyl-but-1-enyl]-5-oxo-cyclopentyl]sulfanylhexanoic acid CAS Name: 6-[[(2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-oxocyclopentyl]thio]hexanoic acid IUPAC Name: 6-[(2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-oxocyclopentyl]sulfanylhexanoic acid Traditional Name: 6-[[(2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-phenyl-but-1-enyl]-5-keto-cyclopentyl]thio]hexanoic acid Formula: C21H28O5S MolecularWeight: 392.50902

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1=O)SCCCCCC(=O)O)C=CC(CC2=CC=CC=C2)O)O

Isomeric SMILES

C1[C@H]([C@@H](C(C1=O)SCCCCCC(=O)O)/C=C/[C@H](CC2=CC=CC=C2)O)O

InChI

InChI=1S/C21H28O5S/c22-16(13-15-7-3-1-4-8-15)10-11-17-18(23)14-19(24)21(17)27-12-6-2-5-9-20(25)26/h1,3-4,7-8,10-11,16-18,21-23H,2,5-6,9,12-14H2,(H,25,26)/b11-10+/t16-,17+,18-,21?/m1/s1