2,4,6-trinitrophenolate; tris(3-methylbutyl)azanium

Systemtic Name: 2,4,6-trinitrophenolate; tris(3-methylbutyl)azanium Openeye Name: triisopentylammonium; 2,4,6-trinitrophenolate CAS Name: 2,4,6-trinitrophenolate; tris(3-methylbutyl)ammonium IUPAC Name: 2,4,6-trinitrophenolate; tris(3-methylbutyl)azanium Traditional Name: triisoamylammonium picrate Formula: C21H36N4O7 MolecularWeight: 456.53314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+](CCC(C)C)CCC(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CC[NH+](CCC(C)C)CCC(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H33N.C6H3N3O7/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h13-15H,7-12H2,1-6H3;1-2,10H