1-[2,6-bis(oxidanyl)heptan-4-ylamino]propan-2-yl octadecanoate

Systemtic Name: 1-[2,6-bis(oxidanyl)heptan-4-ylamino]propan-2-yl octadecanoate Openeye Name: [2-[[3-hydroxy-1-(2-hydroxypropyl)butyl]amino]-1-methyl-ethyl] octadecanoate CAS Name: octadecanoic acid 1-(2,6-dihydroxyheptan-4-ylamino)propan-2-yl ester IUPAC Name: 1-(2,6-dihydroxyheptan-4-ylamino)propan-2-yl octadecanoate Traditional Name: stearic acid [2-[[3-hydroxy-1-(2-hydroxypropyl)butyl]amino]-1-methyl-ethyl] ester Formula: C28H57NO4 MolecularWeight: 471.75648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)CNC(CC(C)O)CC(C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)CNC(CC(C)O)CC(C)O

InChI

InChI=1S/C28H57NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(32)33-26(4)23-29-27(21-24(2)30)22-25(3)31/h24-27,29-31H,5-23H2,1-4H3