12-[(1R,5R)-2-oxidanylidene-5-[(E,3R)-3-oxidanyloct-1-enyl]cyclopentyl]dodecanoic acid

Systemtic Name: 12-[(1R,5R)-2-oxidanylidene-5-[(E,3R)-3-oxidanyloct-1-enyl]cyclopentyl]dodecanoic acid Openeye Name: 12-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]dodecanoic acid CAS Name: 12-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]dodecanoic acid IUPAC Name: 12-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]dodecanoic acid Traditional Name: 12-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]lauric acid Formula: C25H44O4 MolecularWeight: 408.61446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1CCC(=O)C1CCCCCCCCCCCC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H44O4/c1-2-3-11-14-22(26)19-17-21-18-20-24(27)23(21)15-12-9-7-5-4-6-8-10-13-16-25(28)29/h17,19,21-23,26H,2-16,18,20H2,1H3,(H,28,29)/b19-17+/t21-,22+,23+/m0/s1