13-dodecylpentacosan-13-ylazanium nitrate

Systemtic Name: 13-dodecylpentacosan-13-ylazanium nitrate Openeye Name: 1,1-didodecyltridecylammonium nitrate CAS Name: 13-dodecylpentacosan-13-ylammonium nitrate IUPAC Name: 13-dodecylpentacosan-13-ylazanium nitrate Traditional Name: 1,1-dilauryltridecylammonium nitrate Formula: C37H78N2O3 MolecularWeight: 599.02682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)(CCCCCCCCCCCC)[NH3+].[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)(CCCCCCCCCCCC)[NH3+].[N+](=O)([O-])[O-]

InChI

InChI=1S/C37H77N.NO3/c1-4-7-10-13-16-19-22-25-28-31-34-37(38,35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3;2-1(3)4/h4-36,38H2,1-3H3;/q;-1/p+1