3-nitro-3-pentadecyl-tricosan-1-ol nitrate

Systemtic Name: 3-nitro-3-pentadecyl-tricosan-1-ol nitrate Openeye Name: 3-nitro-3-pentadecyl-tricosan-1-ol nitrate CAS Name: 3-nitro-3-pentadecyl-1-tricosanol nitrate IUPAC Name: 3-nitro-3-pentadecyltricosan-1-ol nitrate Traditional Name: 3-nitro-3-pentadecyl-tricosan-1-ol nitrate Formula: C38H77N2O6- MolecularWeight: 658.02778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(CCO)[N+](=O)[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(CCO)[N+](=O)[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C38H77NO3.NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-38(36-37-40,39(41)42)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2;2-1(3)4/h40H,3-37H2,1-2H3;/q;-1