S-(2,3-dinitrooxypropyl) N-[2-(diphenylmethyl)sulfinylethanoyl]carbamothioate

Systemtic Name: S-(2,3-dinitrooxypropyl) N-[2-(diphenylmethyl)sulfinylethanoyl]carbamothioate Openeye Name: S-(2,3-dinitrooxypropyl) N-(2-benzhydrylsulfinylacetyl)carbamothioate CAS Name: N-[2-(diphenylmethyl)sulfinyl-1-oxoethyl]carbamothioic acid S-(2,3-dinitrooxypropyl) ester IUPAC Name: S-(2,3-dinitrooxypropyl) N-(2-benzhydrylsulfinylacetyl)carbamothioate Traditional Name: N-(2-benzhydrylsulfinylacetyl)thiocarbamic acid S-(2,3-dinitrooxypropyl) ester Formula: C19H19N3O9S2 MolecularWeight: 497.49886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)NC(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)NC(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O9S2/c23-17(20-19(24)32-12-16(31-22(27)28)11-30-21(25)26)13-33(29)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2,(H,20,23,24)