2,2-dimethyl-3-(2,4,6-trinitrophenoxy)propan-1-olate

Systemtic Name: 2,2-dimethyl-3-(2,4,6-trinitrophenoxy)propan-1-olate Openeye Name: 2,2-dimethyl-3-(2,4,6-trinitrophenoxy)propan-1-olate CAS Name: 2,2-dimethyl-3-(2,4,6-trinitrophenoxy)-1-propanolate IUPAC Name: 2,2-dimethyl-3-(2,4,6-trinitrophenoxy)propan-1-olate Traditional Name: 2,2-dimethyl-3-(2,4,6-trinitrophenoxy)propan-1-olate Formula: C11H12N3O8- MolecularWeight: 314.22828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[O-])COC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C[O-])COC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N3O8/c1-11(2,5-15)6-22-10-8(13(18)19)3-7(12(16)17)4-9(10)14(20)21/h3-4H,5-6H2,1-2H3/q-1