tert-butyl (Z,2S,3S)-2-icosyl-3-phenylmethoxy-tetracos-8-enoate

Systemtic Name: tert-butyl (Z,2S,3S)-2-icosyl-3-phenylmethoxy-tetracos-8-enoate Openeye Name: tert-butyl (Z,2S,3S)-3-benzyloxy-2-icosyl-tetracos-8-enoate CAS Name: (Z,2S,3S)-2-eicosyl-3-phenylmethoxy-8-tetracosenoic acid tert-butyl ester IUPAC Name: tert-butyl (Z,2S,3S)-2-icosyl-3-phenylmethoxytetracos-8-enoate Traditional Name: (Z,2S,3S)-2-arachyl-3-benzoxy-tetracos-8-enoic acid tert-butyl ester Formula: C55H100O3 MolecularWeight: 809.3807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC[C@@H]([C@H](CCCC/C=C\CCCCCCCCCCCCCCC)OCC1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C55H100O3/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-45-49-53(57-50-51-46-42-41-43-47-51)52(54(56)58-55(3,4)5)48-44-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h34,36,41-43,46-47,52-53H,6-33,35,37-40,44-45,48-50H2,1-5H3/b36-34-/t52-,53-/m0/s1