[(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] octadecanoate

Systemtic Name: [(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] octadecanoate Openeye Name: [(E)-2-amino-3-hydroxy-octadec-4-enyl] octadecanoate CAS Name: octadecanoic acid [(E)-2-amino-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E)-2-amino-3-hydroxyoctadec-4-enyl] octadecanoate Traditional Name: stearic acid [(E)-2-amino-3-hydroxy-octadec-4-enyl] ester Formula: C36H71NO3 MolecularWeight: 565.95384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C(C=CCCCCCCCCCCCCC)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C(/C=C/CCCCCCCCCCCCC)O)N

InChI

InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(39)40-33-34(37)35(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38H,3-28,30,32-33,37H2,1-2H3/b31-29+