[[1-(2,4-dimethoxyphenyl)-1,1,3-trimethoxy-3-phenyl-propan-2-yl]-nitrooxy-thallanyl] nitrate

Systemtic Name: [[1-(2,4-dimethoxyphenyl)-1,1,3-trimethoxy-3-phenyl-propan-2-yl]-nitrooxy-thallanyl] nitrate Openeye Name: [[2-(2,4-dimethoxyphenyl)-2,2-dimethoxy-1-[methoxy(phenyl)methyl]ethyl]-nitrooxy-thallanyl] nitrate CAS Name: nitric acid [[1-(2,4-dimethoxyphenyl)-1,1,3-trimethoxy-3-phenylpropan-2-yl]-nitrooxythallanyl] ester IUPAC Name: [[1-(2,4-dimethoxyphenyl)-1,1,3-trimethoxy-3-phenylpropan-2-yl]-nitrooxythallanyl] nitrate Traditional Name: nitric acid [[2-(2,4-dimethoxyphenyl)-2,2-dimethoxy-1-[methoxy(phenyl)methyl]ethyl]-nitrooxy-thallanyl] ester Formula: C20H25N2O11Tl MolecularWeight: 673.8026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C(C(C2=CC=CC=C2)OC)[Tl](O[N+](=O)[O-])O[N+](=O)[O-])(OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C(C(C2=CC=CC=C2)OC)[Tl](O[N+](=O)[O-])O[N+](=O)[O-])(OC)OC)OC

InChI

InChI=1S/C20H25O5.2NO3.Tl/c1-21-16-11-12-17(18(13-16)22-2)20(24-4,25-5)14-19(23-3)15-9-7-6-8-10-15;2*2-1(3)4;/h6-14,19H,1-5H3;;;/q;2*-1;+2