2-butyl-6-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-oxidanyl-hexanoic acid

Systemtic Name: 2-butyl-6-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-oxidanyl-hexanoic acid Openeye Name: 2-butyl-2-hydroxy-6-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxo-cyclopentyl]hexanoic acid CAS Name: 2-butyl-2-hydroxy-6-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]hexanoic acid IUPAC Name: 2-butyl-2-hydroxy-6-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]hexanoic acid Traditional Name: 2-butyl-2-hydroxy-6-[(1R,5R)-2-keto-5-[(E)-oct-1-enyl]cyclopentyl]hexanoic acid Formula: C23H40O4 MolecularWeight: 380.5613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1CCC(=O)C1CCCCC(CCCC)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H40O4/c1-3-5-7-8-9-10-13-19-15-16-21(24)20(19)14-11-12-18-23(27,22(25)26)17-6-4-2/h10,13,19-20,27H,3-9,11-12,14-18H2,1-2H3,(H,25,26)/b13-10+/t19-,20+,23?/m0/s1