dodecyl (1R,2R,5S)-5-(8-dodecoxy-8-oxidanylidene-octyl)-2-hexyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: dodecyl (1R,2R,5S)-5-(8-dodecoxy-8-oxidanylidene-octyl)-2-hexyl-cyclohex-3-ene-1-carboxylate Openeye Name: dodecyl (1R,2R,5S)-5-(8-dodecoxy-8-oxo-octyl)-2-hexyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,2R,5S)-5-(8-dodecoxy-8-oxooctyl)-2-hexyl-1-cyclohex-3-enecarboxylic acid dodecyl ester IUPAC Name: dodecyl (1R,2R,5S)-5-(8-dodecoxy-8-oxooctyl)-2-hexylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,2R,5S)-2-hexyl-5-(8-keto-8-lauryloxy-octyl)cyclohex-3-ene-1-carboxylic acid lauryl ester Formula: C45H84O4 MolecularWeight: 689.14606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCCCCCCC1CC(C(C=C1)CCCCCC)C(=O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CCCCCCC[C@H]1C[C@H]([C@@H](C=C1)CCCCCC)C(=O)OCCCCCCCCCCCC

InChI

InChI=1S/C45H84O4/c1-4-7-10-13-15-17-19-21-26-31-38-48-44(46)35-30-25-23-24-28-33-41-36-37-42(34-29-12-9-6-3)43(40-41)45(47)49-39-32-27-22-20-18-16-14-11-8-5-2/h36-37,41-43H,4-35,38-40H2,1-3H3/t41-,42-,43-/m1/s1