8-[(1S,2S,3S)-3-oxidanyl-5-oxidanylidene-2-[(E)-3-oxidanylpent-1-enyl]cyclopentyl]octanoic acid

Systemtic Name: 8-[(1S,2S,3S)-3-oxidanyl-5-oxidanylidene-2-[(E)-3-oxidanylpent-1-enyl]cyclopentyl]octanoic acid Openeye Name: 8-[(1S,2S,3S)-3-hydroxy-2-[(E)-3-hydroxypent-1-enyl]-5-oxo-cyclopentyl]octanoic acid CAS Name: 8-[(1S,2S,3S)-3-hydroxy-2-[(E)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]octanoic acid IUPAC Name: 8-[(1S,2S,3S)-3-hydroxy-2-[(E)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]octanoic acid Traditional Name: 8-[(1S,2S,3S)-3-hydroxy-2-[(E)-3-hydroxypent-1-enyl]-5-keto-cyclopentyl]caprylic acid Formula: C18H30O5 MolecularWeight: 326.4278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC1C(CC(=O)C1CCCCCCCC(=O)O)O)O

Isomeric SMILES

CCC(/C=C/[C@@H]1[C@H](CC(=O)[C@H]1CCCCCCCC(=O)O)O)O

InChI

InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13?,14-,15-,17-/m0/s1