[2-methyl-5,6-di(octadecanoyloxy)-3-oxidanyl-hexan-2-yl]azanium ethanoate

Systemtic Name: [2-methyl-5,6-di(octadecanoyloxy)-3-oxidanyl-hexan-2-yl]azanium ethanoate Openeye Name: [2-hydroxy-1,1-dimethyl-4,5-di(octadecanoyloxy)pentyl]ammonium acetate CAS Name: [3-hydroxy-2-methyl-5,6-bis(1-oxooctadecoxy)hexan-2-yl]ammonium acetate IUPAC Name: [3-hydroxy-2-methyl-5,6-di(octadecanoyloxy)hexan-2-yl]azanium acetate Traditional Name: (2-hydroxy-1,1-dimethyl-4,5-distearoyloxy-pentyl)ammonium acetate Formula: C45H89NO7 MolecularWeight: 756.19066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CC(C(C)(C)[NH3+])O)OC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CC(C(C)(C)[NH3+])O)OC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-]

InChI

InChI=1S/C43H85NO5.C2H4O2/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;1-2(3)4/h39-40,45H,5-38,44H2,1-4H3;1H3,(H,3,4)