[(E)-2-azanyl-1-chloranyl-3-oxidanyl-octadec-4-enyl] 2,2-dimethylpropanoate

Systemtic Name: [(E)-2-azanyl-1-chloranyl-3-oxidanyl-octadec-4-enyl] 2,2-dimethylpropanoate Openeye Name: [(E)-2-amino-1-chloro-3-hydroxy-octadec-4-enyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(E)-2-amino-1-chloro-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E)-2-amino-1-chloro-3-hydroxyoctadec-4-enyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(E)-2-amino-1-chloro-3-hydroxy-octadec-4-enyl] ester Formula: C23H44ClNO3 MolecularWeight: 418.05336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(C(OC(=O)C(C)(C)C)Cl)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(C(OC(=O)C(C)(C)C)Cl)N)O

InChI

InChI=1S/C23H44ClNO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(26)20(25)21(24)28-22(27)23(2,3)4/h17-21,26H,5-16,25H2,1-4H3/b18-17+