[(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 18-oxidanyloctadecanoate

Systemtic Name: [(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 18-oxidanyloctadecanoate Openeye Name: [(E)-2-amino-3-hydroxy-octadec-4-enyl] 18-hydroxyoctadecanoate CAS Name: 18-hydroxyoctadecanoic acid [(E)-2-amino-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E)-2-amino-3-hydroxyoctadec-4-enyl] 18-hydroxyoctadecanoate Traditional Name: 18-hydroxystearic acid [(E)-2-amino-3-hydroxy-octadec-4-enyl] ester Formula: C36H71NO4 MolecularWeight: 581.95324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H71NO4/c1-2-3-4-5-6-7-8-12-15-18-21-24-27-30-35(39)34(37)33-41-36(40)31-28-25-22-19-16-13-10-9-11-14-17-20-23-26-29-32-38/h27,30,34-35,38-39H,2-26,28-29,31-33,37H2,1H3/b30-27+