8-[5-(2-ethylhexoxycarbonyl)-4-hexyl-cyclohex-2-en-1-yl]octanoic acid

Systemtic Name: 8-[5-(2-ethylhexoxycarbonyl)-4-hexyl-cyclohex-2-en-1-yl]octanoic acid Openeye Name: 8-[5-(2-ethylhexoxycarbonyl)-4-hexyl-cyclohex-2-en-1-yl]octanoic acid CAS Name: 8-[5-[2-ethylhexoxy(oxo)methyl]-4-hexyl-1-cyclohex-2-enyl]octanoic acid IUPAC Name: 8-[5-(2-ethylhexoxycarbonyl)-4-hexylcyclohex-2-en-1-yl]octanoic acid Traditional Name: 8-[5-(2-ethylhexoxycarbonyl)-4-hexyl-cyclohex-2-en-1-yl]caprylic acid Formula: C29H52O4 MolecularWeight: 464.72078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(CC1C(=O)OCC(CC)CCCC)CCCCCCCC(=O)O

Isomeric SMILES

CCCCCCC1C=CC(CC1C(=O)OCC(CC)CCCC)CCCCCCCC(=O)O

InChI

InChI=1S/C29H52O4/c1-4-7-9-14-18-26-21-20-25(17-13-11-10-12-15-19-28(30)31)22-27(26)29(32)33-23-24(6-3)16-8-5-2/h20-21,24-27H,4-19,22-23H2,1-3H3,(H,30,31)