2-nitroheptanedioate; tris(2-hydroxyethyl)azanium

Systemtic Name: 2-nitroheptanedioate; tris(2-hydroxyethyl)azanium Openeye Name: 2-nitroheptanedioate; tris(2-hydroxyethyl)ammonium CAS Name: 2-nitroheptanedioate; tris(2-hydroxyethyl)ammonium IUPAC Name: 2-nitroheptanedioate; tris(2-hydroxyethyl)azanium Traditional Name: 2-nitropimelate; tris(2-hydroxyethyl)ammonium Formula: C19H41N3O12 MolecularWeight: 503.54174

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)[O-])CC(C(=O)[O-])[N+](=O)[O-].C(CO)[NH+](CCO)CCO.C(CO)[NH+](CCO)CCO

Isomeric SMILES

C(CCC(=O)[O-])CC(C(=O)[O-])[N+](=O)[O-].C(CO)[NH+](CCO)CCO.C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C7H11NO6.2C6H15NO3/c9-6(10)4-2-1-3-5(7(11)12)8(13)14;2*8-4-1-7(2-5-9)3-6-10/h5H,1-4H2,(H,9,10)(H,11,12);2*8-10H,1-6H2