[(E,2S,3R)-2-azido-3-oxidanyl-octadec-4-enyl] 2,2-dimethylpropanoate

Systemtic Name: [(E,2S,3R)-2-azido-3-oxidanyl-octadec-4-enyl] 2,2-dimethylpropanoate Openeye Name: [(E,2S,3R)-2-azido-3-hydroxy-octadec-4-enyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(E,2S,3R)-2-azido-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E,2S,3R)-2-azido-3-hydroxyoctadec-4-enyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(E,2S,3R)-2-azido-3-hydroxy-octadec-4-enyl] ester Formula: C23H43N3O3 MolecularWeight: 409.60582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)C(C)(C)C)N=[N+]=[N-])O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)C(C)(C)C)N=[N+]=[N-])O

InChI

InChI=1S/C23H43N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(27)20(25-26-24)19-29-22(28)23(2,3)4/h17-18,20-21,27H,5-16,19H2,1-4H3/b18-17+/t20-,21+/m0/s1