(E)-7-[(1R,5S)-2-oxidanylidene-5-(4-oxidanyl-4-prop-1-ynyl-octyl)cyclopentyl]hept-2-enoic acid

Systemtic Name: (E)-7-[(1R,5S)-2-oxidanylidene-5-(4-oxidanyl-4-prop-1-ynyl-octyl)cyclopentyl]hept-2-enoic acid Openeye Name: (E)-7-[(1R,2S)-2-(4-hydroxy-4-prop-1-ynyl-octyl)-5-oxo-cyclopentyl]hept-2-enoic acid CAS Name: (E)-7-[(1R,2S)-2-(4-hydroxy-4-prop-1-ynyloctyl)-5-oxocyclopentyl]-2-heptenoic acid IUPAC Name: (E)-7-[(1R,2S)-2-(4-hydroxy-4-prop-1-ynyloctyl)-5-oxocyclopentyl]hept-2-enoic acid Traditional Name: (E)-7-[(1R,2S)-2-(4-butyl-4-hydroxy-hept-5-ynyl)-5-keto-cyclopentyl]hept-2-enoic acid Formula: C23H36O4 MolecularWeight: 376.52954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC1CCC(=O)C1CCCCC=CC(=O)O)(C#CC)O

Isomeric SMILES

CCCCC(CCC[C@H]1CCC(=O)[C@@H]1CCCC/C=C/C(=O)O)(C#CC)O

InChI

InChI=1S/C23H36O4/c1-3-5-17-23(27,16-4-2)18-10-11-19-14-15-21(24)20(19)12-8-6-7-9-13-22(25)26/h9,13,19-20,27H,3,5-8,10-12,14-15,17-18H2,1-2H3,(H,25,26)/b13-9+/t19-,20+,23?/m0/s1