1-[2-[bis(2-oxidanylpropyl)amino]ethyl-(2-octadecanoyloxypropyl)amino]propan-2-yl octadecanoate

Systemtic Name: 1-[2-[bis(2-oxidanylpropyl)amino]ethyl-(2-octadecanoyloxypropyl)amino]propan-2-yl octadecanoate Openeye Name: [2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-octadecanoyloxypropyl)amino]-1-methyl-ethyl] octadecanoate CAS Name: octadecanoic acid 1-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-(1-oxooctadecoxy)propyl]amino]propan-2-yl ester IUPAC Name: 1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-octadecanoyloxypropyl)amino]propan-2-yl octadecanoate Traditional Name: stearic acid [2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-stearoyloxypropyl)amino]-1-methyl-ethyl] ester Formula: C50H100N2O6 MolecularWeight: 825.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)CN(CCN(CC(C)O)CC(C)O)CC(C)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)CN(CCN(CC(C)O)CC(C)O)CC(C)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C50H100N2O6/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-49(55)57-47(5)43-52(40-39-51(41-45(3)53)42-46(4)54)44-48(6)58-50(56)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h45-48,53-54H,7-44H2,1-6H3