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

Systemtic Name: 8-[3-hexyl-6-[7-(hydroxymethyloxy)heptyl]-2-octyl-cyclohexyl]octanoic acid Openeye Name: 8-[3-hexyl-6-[7-(hydroxymethoxy)heptyl]-2-octyl-cyclohexyl]octanoic acid CAS Name: 8-[3-hexyl-6-[7-(hydroxymethoxy)heptyl]-2-octylcyclohexyl]octanoic acid IUPAC Name: 8-[3-hexyl-6-[7-(hydroxymethoxy)heptyl]-2-octylcyclohexyl]octanoic acid Traditional Name: 8-[3-hexyl-6-(7-methyloloxyheptyl)-2-octyl-cyclohexyl]caprylic acid Formula: C36H70O4 MolecularWeight: 566.9386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(CCC(C1CCCCCCCC(=O)O)CCCCCCCOCO)CCCCCC

Isomeric SMILES

CCCCCCCCC1C(CCC(C1CCCCCCCC(=O)O)CCCCCCCOCO)CCCCCC

InChI

InChI=1S/C36H70O4/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/h32-35,37H,3-31H2,1-2H3,(H,38,39)