S-(2,4-dinitrophenyl) carbamothioate carbamothioate

Systemtic Name: S-(2,4-dinitrophenyl) carbamothioate carbamothioate Openeye Name: S-(2,4-dinitrophenyl) carbamothioate carbamothioate CAS Name: carbamothioic acid S-(2,4-dinitrophenyl) ester carbamothioate IUPAC Name: S-(2,4-dinitrophenyl) carbamothioate carbamothioate Traditional Name: thiocarbamic acid S-(2,4-dinitrophenyl) ester thiocarbamate Formula: C8H7N4O6S2- MolecularWeight: 319.29438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC(=O)N.C(=S)(N)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC(=O)N.C(=S)(N)[O-]

InChI

InChI=1S/C7H5N3O5S.CH3NOS/c8-7(11)16-6-2-1-4(9(12)13)3-5(6)10(14)15;2-1(3)4/h1-3H,(H2,8,11);(H3,2,3,4)/p-1