[(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 12-oxidanyloctadecanoate

Systemtic Name: [(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 12-oxidanyloctadecanoate Openeye Name: [(E)-2-amino-3-hydroxy-octadec-4-enyl] 12-hydroxyoctadecanoate CAS Name: 12-hydroxyoctadecanoic acid [(E)-2-amino-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E)-2-amino-3-hydroxyoctadec-4-enyl] 12-hydroxyoctadecanoate Traditional Name: 12-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)CCCCCCCCCCC(CCCCCC)O)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COC(=O)CCCCCCCCCCC(CCCCCC)O)N)O

InChI

InChI=1S/C36H71NO4/c1-3-5-7-9-10-11-12-13-14-15-19-22-26-30-35(39)34(37)32-41-36(40)31-27-23-20-17-16-18-21-25-29-33(38)28-24-8-6-4-2/h26,30,33-35,38-39H,3-25,27-29,31-32,37H2,1-2H3/b30-26+