7-[3,3-dimethyl-4-oxidanyl-2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-ynoic acid

Systemtic Name: 7-[3,3-dimethyl-4-oxidanyl-2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-ynoic acid Openeye Name: 7-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-3,3-dimethyl-2-oxo-cyclopentyl]hept-5-ynoic acid CAS Name: 7-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]-5-heptynoic acid IUPAC Name: 7-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]hept-5-ynoic acid Traditional Name: 7-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-2-keto-3,3-dimethyl-cyclopentyl]hept-5-ynoic acid Formula: C22H34O5 MolecularWeight: 378.50236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(C(=O)C(C1O)(C)C)CC#CCCCC(=O)O)O

Isomeric SMILES

CCCCCC(/C=C/C1C(C(=O)C(C1O)(C)C)CC#CCCCC(=O)O)O

InChI

InChI=1S/C22H34O5/c1-4-5-8-11-16(23)14-15-18-17(20(26)22(2,3)21(18)27)12-9-6-7-10-13-19(24)25/h14-18,21,23,27H,4-5,7-8,10-13H2,1-3H3,(H,24,25)/b15-14+