(2-azanyl-3-oxidanyl-octadecyl) (E)-octadec-9-enoate

Systemtic Name: (2-azanyl-3-oxidanyl-octadecyl) (E)-octadec-9-enoate Openeye Name: (2-amino-3-hydroxy-octadecyl) (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (2-amino-3-hydroxyoctadecyl) ester IUPAC Name: (2-amino-3-hydroxyoctadecyl) (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid (2-amino-3-hydroxy-octadecyl) ester Formula: C36H71NO3 MolecularWeight: 565.95384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(COC(=O)CCCCCCCC=CCCCCCCCC)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(COC(=O)CCCCCCC/C=C/CCCCCCCC)N)O

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/h17-18,34-35,38H,3-16,19-33,37H2,1-2H3/b18-17+