[(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 3-chloranyl-2,2-dimethyl-propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)C(C)(C)CCl)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COC(=O)C(C)(C)CCl)N)O

InChI

InChI=1S/C23H44ClNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)20(25)18-28-22(27)23(2,3)19-24/h16-17,20-21,26H,4-15,18-19,25H2,1-3H3/b17-16+