2-methyl-2-nitro-docosan-1-ol nitrate

Systemtic Name: 2-methyl-2-nitro-docosan-1-ol nitrate Openeye Name: 2-methyl-2-nitro-docosan-1-ol nitrate CAS Name: 2-methyl-2-nitro-1-docosanol nitrate IUPAC Name: 2-methyl-2-nitrodocosan-1-ol nitrate Traditional Name: 2-methyl-2-nitro-docosan-1-ol nitrate Formula: C23H47N2O6- MolecularWeight: 447.62908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C)(CO)[N+](=O)[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C)(CO)[N+](=O)[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C23H47NO3.NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(2,22-25)24(26)27;2-1(3)4/h25H,3-22H2,1-2H3;/q;-1