8-[3-hexyl-6-[7-(hydroxymethyloxy)heptyl]-2-octyl-phenyl]octanoic acid

Systemtic Name: 8-[3-hexyl-6-[7-(hydroxymethyloxy)heptyl]-2-octyl-phenyl]octanoic acid Openeye Name: 8-[3-hexyl-6-[7-(hydroxymethoxy)heptyl]-2-octyl-phenyl]octanoic acid CAS Name: 8-[3-hexyl-6-[7-(hydroxymethoxy)heptyl]-2-octylphenyl]octanoic acid IUPAC Name: 8-[3-hexyl-6-[7-(hydroxymethoxy)heptyl]-2-octylphenyl]octanoic acid Traditional Name: 8-[3-hexyl-6-(7-methyloloxyheptyl)-2-octyl-phenyl]caprylic acid Formula: C36H64O4 MolecularWeight: 560.89096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1CCCCCCCC(=O)O)CCCCCCCOCO)CCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1CCCCCCCC(=O)O)CCCCCCCOCO)CCCCCC

InChI

InChI=1S/C36H64O4/c1-3-5-7-9-13-19-25-34-32(23-17-8-6-4-2)28-29-33(24-18-12-11-16-22-30-40-31-37)35(34)26-20-14-10-15-21-27-36(38)39/h28-29,37H,3-27,30-31H2,1-2H3,(H,38,39)