7-[2-(3,3-dimethylbutyl)-4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]heptanoic acid

Systemtic Name: 7-[2-(3,3-dimethylbutyl)-4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]heptanoic acid Openeye Name: 7-[2-(3,3-dimethylbutyl)-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]heptanoic acid CAS Name: 7-[2-(3,3-dimethylbutyl)-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-1-cyclopentenyl]heptanoic acid IUPAC Name: 7-[2-(3,3-dimethylbutyl)-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]heptanoic acid Traditional Name: 7-[2-(3,3-dimethylbutyl)-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]enanthic acid Formula: C26H46O4 MolecularWeight: 422.64104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=C1CCCCCCC(=O)O)CCC(C)(C)C)O)O

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(=C1CCCCCCC(=O)O)CCC(C)(C)C)O)O

InChI

InChI=1S/C26H46O4/c1-5-6-9-12-21(27)15-16-23-22(13-10-7-8-11-14-25(29)30)20(19-24(23)28)17-18-26(2,3)4/h15-16,21,23-24,27-28H,5-14,17-19H2,1-4H3,(H,29,30)/b16-15+