(5-azanyl-5-methyl-2-octadecanoyloxy-4-oxidanyl-hexyl) octadecanoate

Systemtic Name: (5-azanyl-5-methyl-2-octadecanoyloxy-4-oxidanyl-hexyl) octadecanoate Openeye Name: (5-amino-4-hydroxy-5-methyl-2-octadecanoyloxy-hexyl) octadecanoate CAS Name: octadecanoic acid [5-amino-4-hydroxy-5-methyl-2-(1-oxooctadecoxy)hexyl] ester IUPAC Name: (5-amino-4-hydroxy-5-methyl-2-octadecanoyloxyhexyl) octadecanoate Traditional Name: stearic acid (5-amino-4-hydroxy-5-methyl-2-stearoyloxy-hexyl) ester Formula: C43H85NO5 MolecularWeight: 696.1387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CC(C(C)(C)N)O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CC(C(C)(C)N)O)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C43H85NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)48-38-39(37-40(45)43(3,4)44)49-42(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h39-40,45H,5-38,44H2,1-4H3