12-azaniumyldodecylazanium; 2-nitropropane

Systemtic Name: 12-azaniumyldodecylazanium; 2-nitropropane Openeye Name: 12-azaniumyldodecylammonium; 2-nitropropane CAS Name: 12-ammoniododecylammonium; 2-nitropropane IUPAC Name: 12-azaniumyldodecylazanium; 2-nitropropane Traditional Name: 12-ammoniododecylammonium; 2-nitropropane Formula: C18H42N4O4 MolecularWeight: 378.55048

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Descriptors Computed from Structure

Canonical SMILES:

C[C-](C)[N+](=O)[O-].C[C-](C)[N+](=O)[O-].C(CCCCCC[NH3+])CCCCC[NH3+]

Isomeric SMILES

C[C-](C)[N+](=O)[O-].C[C-](C)[N+](=O)[O-].C(CCCCCC[NH3+])CCCCC[NH3+]

InChI

InChI=1S/C12H28N2.2C3H6NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14;2*1-3(2)4(5)6/h1-14H2;2*1-2H3/q;2*-1/p+2