[(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 2,2-bis(chloranyl)ethanoate

Systemtic Name: [(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 2,2-bis(chloranyl)ethanoate Openeye Name: [(E)-2-amino-3-hydroxy-octadec-4-enyl] 2,2-dichloroacetate CAS Name: 2,2-dichloroacetic acid [(E)-2-amino-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E)-2-amino-3-hydroxyoctadec-4-enyl] 2,2-dichloroacetate Traditional Name: 2,2-dichloroacetic acid [(E)-2-amino-3-hydroxy-octadec-4-enyl] ester Formula: C20H37Cl2NO3 MolecularWeight: 410.41868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H37Cl2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)17(23)16-26-20(25)19(21)22/h14-15,17-19,24H,2-13,16,23H2,1H3/b15-14+