(phenylmethyl)-[2-(2,4,6-trinitrophenoxy)ethyl]azanium

Systemtic Name: (phenylmethyl)-[2-(2,4,6-trinitrophenoxy)ethyl]azanium Openeye Name: benzyl-[2-(2,4,6-trinitrophenoxy)ethyl]ammonium CAS Name: (phenylmethyl)-[2-(2,4,6-trinitrophenoxy)ethyl]ammonium IUPAC Name: benzyl-[2-(2,4,6-trinitrophenoxy)ethyl]azanium Traditional Name: benzyl-[2-(2,4,6-trinitrophenoxy)ethyl]ammonium Formula: C15H15N4O7+ MolecularWeight: 363.3022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CCOC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CCOC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O7/c20-17(21)12-8-13(18(22)23)15(14(9-12)19(24)25)26-7-6-16-10-11-4-2-1-3-5-11/h1-5,8-9,16H,6-7,10H2/p+1