8-[4-hexyl-5-octyl-6-(8-oxidanyl-8-oxidanylidene-octyl)cyclohex-2-en-1-yl]octanoic acid

Systemtic Name: 8-[4-hexyl-5-octyl-6-(8-oxidanyl-8-oxidanylidene-octyl)cyclohex-2-en-1-yl]octanoic acid Openeye Name: 8-[4-hexyl-6-(8-hydroxy-8-oxo-octyl)-5-octyl-cyclohex-2-en-1-yl]octanoic acid CAS Name: 8-[4-hexyl-6-(8-hydroxy-8-oxooctyl)-5-octyl-1-cyclohex-2-enyl]octanoic acid IUPAC Name: 8-[4-hexyl-6-(8-hydroxy-8-oxooctyl)-5-octylcyclohex-2-en-1-yl]octanoic acid Traditional Name: 8-[4-hexyl-6-(8-hydroxy-8-keto-octyl)-5-octyl-cyclohex-2-en-1-yl]caprylic acid Formula: C36H66O4 MolecularWeight: 562.90684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C=CC(C1CCCCCCCC(=O)O)CCCCCCCC(=O)O)CCCCCC

Isomeric SMILES

CCCCCCCCC1C(C=CC(C1CCCCCCCC(=O)O)CCCCCCCC(=O)O)CCCCCC

InChI

InChI=1S/C36H66O4/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/h29-34H,3-28H2,1-2H3,(H,37,38)(H,39,40)