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

Systemtic Name: dodecyl (1R,2S,5S)-5-(8-dodecoxy-8-oxidanylidene-octyl)-2-hexyl-cyclohexane-1-carboxylate Openeye Name: dodecyl (1R,2S,5S)-5-(8-dodecoxy-8-oxo-octyl)-2-hexyl-cyclohexanecarboxylate CAS Name: (1R,2S,5S)-5-(8-dodecoxy-8-oxooctyl)-2-hexyl-1-cyclohexanecarboxylic acid dodecyl ester IUPAC Name: dodecyl (1R,2S,5S)-5-(8-dodecoxy-8-oxooctyl)-2-hexylcyclohexane-1-carboxylate Traditional Name: (1R,2S,5S)-2-hexyl-5-(8-keto-8-lauryloxy-octyl)cyclohexanecarboxylic acid lauryl ester Formula: C45H86O4 MolecularWeight: 691.16194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCCCCCCC1CCC(C(C1)C(=O)OCCCCCCCCCCCC)CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C45H86O4/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/h41-43H,4-40H2,1-3H3/t41-,42-,43+/m0/s1