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

Systemtic Name: 8-[4-hexyl-6-[(E)-oct-1-enyl]-5-(8-oxidanyl-8-oxidanylidene-octyl)cyclohex-2-en-1-yl]octanoic acid Openeye Name: 8-[4-hexyl-5-(8-hydroxy-8-oxo-octyl)-6-[(E)-oct-1-enyl]cyclohex-2-en-1-yl]octanoic acid CAS Name: 8-[4-hexyl-5-(8-hydroxy-8-oxooctyl)-6-[(E)-oct-1-enyl]-1-cyclohex-2-enyl]octanoic acid IUPAC Name: 8-[4-hexyl-5-(8-hydroxy-8-oxooctyl)-6-[(E)-oct-1-enyl]cyclohex-2-en-1-yl]octanoic acid Traditional Name: 8-[4-hexyl-5-(8-hydroxy-8-keto-octyl)-6-[(E)-oct-1-enyl]cyclohex-2-en-1-yl]caprylic acid Formula: C36H64O4 MolecularWeight: 560.89096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1C(C=CC(C1CCCCCCCC(=O)O)CCCCCC)CCCCCCCC(=O)O

Isomeric SMILES

CCCCCC/C=C/C1C(C=CC(C1CCCCCCCC(=O)O)CCCCCC)CCCCCCCC(=O)O

InChI

InChI=1S/C36H64O4/c1-3-5-7-9-13-19-25-34-32(24-18-12-10-15-21-27-35(37)38)30-29-31(23-17-8-6-4-2)33(34)26-20-14-11-16-22-28-36(39)40/h19,25,29-34H,3-18,20-24,26-28H2,1-2H3,(H,37,38)(H,39,40)/b25-19+