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

Systemtic Name: tetrakis(3-methylbutyl)azanium; 2,4,6-trinitrophenolate Openeye Name: tetraisopentylammonium; 2,4,6-trinitrophenolate CAS Name: tetrakis(3-methylbutyl)ammonium; 2,4,6-trinitrophenolate IUPAC Name: tetrakis(3-methylbutyl)azanium; 2,4,6-trinitrophenolate Traditional Name: tetraisoamylammonium picrate Formula: C26H46N4O7 MolecularWeight: 526.66604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+](CCC(C)C)(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[N+](CCC(C)C)(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/C20H44N.C6H3N3O7/c1-17(2)9-13-21(14-10-18(3)4,15-11-19(5)6)16-12-20(7)8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h17-20H,9-16H2,1-8H3;1-2,10H/q+1;/p-1