2,5-bis(azaniumyl)pentanoate; 2,4,6-trinitrophenolate

Systemtic Name: 2,5-bis(azaniumyl)pentanoate; 2,4,6-trinitrophenolate Openeye Name: 2,5-bis(azaniumyl)pentanoate; 2,4,6-trinitrophenolate CAS Name: 2,5-diammoniopentanoate; 2,4,6-trinitrophenolate IUPAC Name: 2,5-bis(azaniumyl)pentanoate; 2,4,6-trinitrophenolate Traditional Name: 2,5-diammoniovalerate picrate Formula: C11H15N5O9 MolecularWeight: 361.2649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O7.C5H12N2O2/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;6-3-1-2-4(7)5(8)9/h1-2,10H;4H,1-3,6-7H2,(H,8,9)