[2-(octadecanoylamino)-3-oxidanyl-octadecyl] octadecanoate

Systemtic Name: [2-(octadecanoylamino)-3-oxidanyl-octadecyl] octadecanoate Openeye Name: [3-hydroxy-2-(octadecanoylamino)octadecyl] octadecanoate CAS Name: octadecanoic acid [3-hydroxy-2-(1-oxooctadecylamino)octadecyl] ester IUPAC Name: [3-hydroxy-2-(octadecanoylamino)octadecyl] octadecanoate Traditional Name: stearic acid (3-hydroxy-2-stearamido-octadecyl) ester Formula: C54H107NO4 MolecularWeight: 834.43168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(COC(=O)CCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(COC(=O)CCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCC)O

InChI

InChI=1S/C54H107NO4/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-53(57)55-51(52(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)50-59-54(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h51-52,56H,4-50H2,1-3H3,(H,55,57)