[2-(hydroxymethyl)-3-(octadecanoylamino)propyl] octadecanoate

Systemtic Name: [2-(hydroxymethyl)-3-(octadecanoylamino)propyl] octadecanoate Openeye Name: [2-(hydroxymethyl)-3-(octadecanoylamino)propyl] octadecanoate CAS Name: octadecanoic acid [2-(hydroxymethyl)-3-(1-oxooctadecylamino)propyl] ester IUPAC Name: [2-(hydroxymethyl)-3-(octadecanoylamino)propyl] octadecanoate Traditional Name: stearic acid (2-methylol-3-stearamido-propyl) ester Formula: C40H79NO4 MolecularWeight: 638.05956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC(CO)COC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(CO)COC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C40H79NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)41-35-38(36-42)37-45-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38,42H,3-37H2,1-2H3,(H,41,43)