[3-nitrooxy-2-(nitrooxymethyl)propyl] 2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfinyl]benzimidazole-1-carboxylate

Systemtic Name: [3-nitrooxy-2-(nitrooxymethyl)propyl] 2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfinyl]benzimidazole-1-carboxylate Openeye Name: [3-nitrooxy-2-(nitrooxymethyl)propyl] 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfinyl]benzimidazole-1-carboxylate CAS Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1-benzimidazolecarboxylic acid [3-nitrooxy-2-(nitrooxymethyl)propyl] ester IUPAC Name: [3-nitrooxy-2-(nitrooxymethyl)propyl] 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]benzimidazole-1-carboxylate Traditional Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfinyl]benzimidazole-1-carboxylic acid [3-nitrooxy-2-(nitrooxymethyl)propyl] ester Formula: C21H20F3N5O10S MolecularWeight: 591.47121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2C(=O)OCC(CO[N+](=O)[O-])CO[N+](=O)[O-])OCC(F)(F)F

Isomeric SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2C(=O)OCC(CO[N+](=O)[O-])CO[N+](=O)[O-])OCC(F)(F)F

InChI

InChI=1S/C21H20F3N5O10S/c1-13-16(25-7-6-18(13)37-12-21(22,23)24)11-40(35)19-26-15-4-2-3-5-17(15)27(19)20(30)36-8-14(9-38-28(31)32)10-39-29(33)34/h2-7,14H,8-12H2,1H3