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

Systemtic Name: 8-[4-hexyl-5-[(E)-oct-2-enyl]-6-[(E)-8-oxidanyl-8-oxidanylidene-oct-2-enyl]cyclohex-2-en-1-yl]octanoic acid Openeye Name: 8-[4-hexyl-6-[(E)-8-hydroxy-8-oxo-oct-2-enyl]-5-[(E)-oct-2-enyl]cyclohex-2-en-1-yl]octanoic acid CAS Name: 8-[4-hexyl-6-[(E)-8-hydroxy-8-oxooct-2-enyl]-5-[(E)-oct-2-enyl]-1-cyclohex-2-enyl]octanoic acid IUPAC Name: 8-[4-hexyl-6-[(E)-8-hydroxy-8-oxooct-2-enyl]-5-[(E)-oct-2-enyl]cyclohex-2-en-1-yl]octanoic acid Traditional Name: 8-[4-hexyl-6-[(E)-8-hydroxy-8-keto-oct-2-enyl]-5-[(E)-oct-2-enyl]cyclohex-2-en-1-yl]caprylic acid Formula: C36H62O4 MolecularWeight: 558.87508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(C(C1CC=CCCCCC)CC=CCCCCC(=O)O)CCCCCCCC(=O)O

Isomeric SMILES

CCCCCCC1C=CC(C(C1C/C=C/CCCCC)C/C=C/CCCCC(=O)O)CCCCCCCC(=O)O

InChI

InChI=1S/C36H62O4/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/h13-14,19-20,29-34H,3-12,15-18,21-28H2,1-2H3,(H,37,38)(H,39,40)/b19-13+,20-14+