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

Systemtic Name: 8-[4-hexyl-5-[(E)-oct-2-enyl]-6-octyl-cyclohex-2-en-1-yl]octanoic acid Openeye Name: 8-[4-hexyl-5-[(E)-oct-2-enyl]-6-octyl-cyclohex-2-en-1-yl]octanoic acid CAS Name: 8-[4-hexyl-5-[(E)-oct-2-enyl]-6-octyl-1-cyclohex-2-enyl]octanoic acid IUPAC Name: 8-[4-hexyl-5-[(E)-oct-2-enyl]-6-octylcyclohex-2-en-1-yl]octanoic acid Traditional Name: 8-[4-hexyl-5-[(E)-oct-2-enyl]-6-octyl-cyclohex-2-en-1-yl]caprylic acid Formula: C36H66O2 MolecularWeight: 530.90804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C=CC(C1CC=CCCCCC)CCCCCC)CCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCC1C(C=CC(C1C/C=C/CCCCC)CCCCCC)CCCCCCCC(=O)O

InChI

InChI=1S/C36H66O2/c1-4-7-10-13-17-22-27-34-32(25-20-12-9-6-3)30-31-33(26-21-16-15-19-24-29-36(37)38)35(34)28-23-18-14-11-8-5-2/h17,22,30-35H,4-16,18-21,23-29H2,1-3H3,(H,37,38)/b22-17+