(5-oxidanylidene-3,5-diphenyl-2-propanoyloxy-pentyl)azanium; 2,4,6-trinitrophenolate

Systemtic Name: (5-oxidanylidene-3,5-diphenyl-2-propanoyloxy-pentyl)azanium; 2,4,6-trinitrophenolate Openeye Name: (5-oxo-3,5-diphenyl-2-propanoyloxy-pentyl)ammonium; 2,4,6-trinitrophenolate CAS Name: [5-oxo-2-(1-oxopropoxy)-3,5-diphenylpentyl]ammonium; 2,4,6-trinitrophenolate IUPAC Name: (5-oxo-3,5-diphenyl-2-propanoyloxypentyl)azanium; 2,4,6-trinitrophenolate Traditional Name: (5-keto-3,5-diphenyl-2-propionyloxy-pentyl)ammonium picrate Formula: C26H26N4O10 MolecularWeight: 554.50544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C[NH3+])C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OC(C[NH3+])C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H23NO3.C6H3N3O7/c1-2-20(23)24-19(14-21)17(15-9-5-3-6-10-15)13-18(22)16-11-7-4-8-12-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-12,17,19H,2,13-14,21H2,1H3;1-2,10H