S-[4-nitro-2,5-bis(oxidanyl)phenyl] N,N-diethylcarbamothioate

Systemtic Name: S-[4-nitro-2,5-bis(oxidanyl)phenyl] N,N-diethylcarbamothioate Openeye Name: S-(2,5-dihydroxy-4-nitro-phenyl) N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid S-(2,5-dihydroxy-4-nitrophenyl) ester IUPAC Name: S-(2,5-dihydroxy-4-nitrophenyl) N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid S-(2,5-dihydroxy-4-nitro-phenyl) ester Formula: C11H14N2O5S MolecularWeight: 286.30426

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SC1=C(C=C(C(=C1)O)[N+](=O)[O-])O

Isomeric SMILES

CCN(CC)C(=O)SC1=C(C=C(C(=C1)O)[N+](=O)[O-])O

InChI

InChI=1S/C11H14N2O5S/c1-3-12(4-2)11(16)19-10-6-8(14)7(13(17)18)5-9(10)15/h5-6,14-15H,3-4H2,1-2H3