8-[(1S,4R,5S)-5-dodecoxycarbonyl-4-hexyl-cyclohex-2-en-1-yl]octanoic acid

Systemtic Name: 8-[(1S,4R,5S)-5-dodecoxycarbonyl-4-hexyl-cyclohex-2-en-1-yl]octanoic acid Openeye Name: 8-[(1S,4R,5S)-5-dodecoxycarbonyl-4-hexyl-cyclohex-2-en-1-yl]octanoic acid CAS Name: 8-[(1S,4R,5S)-5-[dodecoxy(oxo)methyl]-4-hexyl-1-cyclohex-2-enyl]octanoic acid IUPAC Name: 8-[(1S,4R,5S)-5-dodecoxycarbonyl-4-hexylcyclohex-2-en-1-yl]octanoic acid Traditional Name: 8-[(1S,4R,5S)-4-hexyl-5-lauryloxycarbonyl-cyclohex-2-en-1-yl]caprylic acid Formula: C33H60O4 MolecularWeight: 520.8271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1CC(C=CC1CCCCCC)CCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)[C@H]1C[C@@H](C=C[C@H]1CCCCCC)CCCCCCCC(=O)O

InChI

InChI=1S/C33H60O4/c1-3-5-7-9-10-11-12-13-17-21-27-37-33(36)31-28-29(22-18-15-14-16-20-24-32(34)35)25-26-30(31)23-19-8-6-4-2/h25-26,29-31H,3-24,27-28H2,1-2H3,(H,34,35)/t29-,30-,31+/m1/s1