3,5-diethyl-4-nitro-2-(sulfanylcarbonylamino)benzenesulfinate

Systemtic Name: 3,5-diethyl-4-nitro-2-(sulfanylcarbonylamino)benzenesulfinate Openeye Name: 3,5-diethyl-4-nitro-2-(sulfanylcarbonylamino)benzenesulfinate CAS Name: 3,5-diethyl-2-[[mercapto(oxo)methyl]amino]-4-nitrobenzenesulfinate IUPAC Name: 3,5-diethyl-4-nitro-2-(sulfanylcarbonylamino)benzenesulfinate Traditional Name: 3,5-diethyl-4-nitro-2-(thiocarboxyamino)benzenesulfinate Formula: C11H13N2O5S2- MolecularWeight: 317.36132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1[N+](=O)[O-])CC)NC(=O)S)S(=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C(=C1[N+](=O)[O-])CC)NC(=O)S)S(=O)[O-]

InChI

InChI=1S/C11H14N2O5S2/c1-3-6-5-8(20(17)18)9(12-11(14)19)7(4-2)10(6)13(15)16/h5H,3-4H2,1-2H3,(H,17,18)(H2,12,14,19)/p-1