(5-azanyl-3-octadecanoyloxy-2-oxidanyl-4-oxidanylidene-pentyl) octadecanoate

Systemtic Name: (5-azanyl-3-octadecanoyloxy-2-oxidanyl-4-oxidanylidene-pentyl) octadecanoate Openeye Name: (5-amino-2-hydroxy-3-octadecanoyloxy-4-oxo-pentyl) octadecanoate CAS Name: octadecanoic acid [5-amino-2-hydroxy-4-oxo-3-(1-oxooctadecoxy)pentyl] ester IUPAC Name: (5-amino-2-hydroxy-3-octadecanoyloxy-4-oxopentyl) octadecanoate Traditional Name: stearic acid (5-amino-2-hydroxy-4-keto-3-stearoyloxy-pentyl) ester Formula: C41H79NO6 MolecularWeight: 682.06906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C(C(=O)CN)OC(=O)CCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C(C(=O)CN)OC(=O)CCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C41H79NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(45)47-36-38(44)41(37(43)35-42)48-40(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38,41,44H,3-36,42H2,1-2H3