8-[4-hexyl-3-octyl-2-(8-oxidanyl-8-oxidanylidene-octyl)cyclohexyl]octanoic acid

Systemtic Name: 8-[4-hexyl-3-octyl-2-(8-oxidanyl-8-oxidanylidene-octyl)cyclohexyl]octanoic acid Openeye Name: 8-[4-hexyl-2-(8-hydroxy-8-oxo-octyl)-3-octyl-cyclohexyl]octanoic acid CAS Name: 8-[4-hexyl-2-(8-hydroxy-8-oxooctyl)-3-octylcyclohexyl]octanoic acid IUPAC Name: 8-[4-hexyl-2-(8-hydroxy-8-oxooctyl)-3-octylcyclohexyl]octanoic acid Traditional Name: 8-[4-hexyl-2-(8-hydroxy-8-keto-octyl)-3-octyl-cyclohexyl]caprylic acid Formula: C36H68O4 MolecularWeight: 564.92272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(CCC(C1CCCCCCCC(=O)O)CCCCCCCC(=O)O)CCCCCC

Isomeric SMILES

CCCCCCCCC1C(CCC(C1CCCCCCCC(=O)O)CCCCCCCC(=O)O)CCCCCC

InChI

InChI=1S/C36H68O4/c1-3-5-7-9-13-19-25-33-31(23-17-8-6-4-2)29-30-32(24-18-12-10-15-21-27-35(37)38)34(33)26-20-14-11-16-22-28-36(39)40/h31-34H,3-30H2,1-2H3,(H,37,38)(H,39,40)