tert-butyl (2S)-2-[(1S)-6-oxidanylidene-1-phenylmethoxy-hexyl]docosanoate

Systemtic Name: tert-butyl (2S)-2-[(1S)-6-oxidanylidene-1-phenylmethoxy-hexyl]docosanoate Openeye Name: tert-butyl (2S)-2-[(1S)-1-benzyloxy-6-oxo-hexyl]docosanoate CAS Name: (2S)-2-[(1S)-6-oxo-1-phenylmethoxyhexyl]docosanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(1S)-6-oxo-1-phenylmethoxyhexyl]docosanoate Traditional Name: (2S)-2-[(1S)-1-benzoxy-6-keto-hexyl]behenic acid tert-butyl ester Formula: C39H68O4 MolecularWeight: 600.95482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(CCCCC=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC[C@@H]([C@H](CCCCC=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C39H68O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-31-36(38(41)43-39(2,3)4)37(32-27-23-28-33-40)42-34-35-29-24-22-25-30-35/h22,24-25,29-30,33,36-37H,5-21,23,26-28,31-32,34H2,1-4H3/t36-,37-/m0/s1