[diethoxyphosphoryl-(4-nitrophenyl)sulfonyl-methyl]carbamothioic S-acid

Systemtic Name: [diethoxyphosphoryl-(4-nitrophenyl)sulfonyl-methyl]carbamothioic S-acid Openeye Name: [diethoxyphosphoryl-(4-nitrophenyl)sulfonyl-methyl]carbamothioic S-acid CAS Name: [diethoxyphosphoryl-(4-nitrophenyl)sulfonylmethyl]carbamothioic S-acid IUPAC Name: [diethoxyphosphoryl-(4-nitrophenyl)sulfonylmethyl]carbamothioic S-acid Traditional Name: [diethoxyphosphoryl(nosyl)methyl]thiocarbamic S-acid Formula: C12H17N2O8PS2 MolecularWeight: 412.375741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N2O8PS2/c1-3-21-23(18,22-4-2)12(13-11(15)24)25(19,20)10-7-5-9(6-8-10)14(16)17/h5-8,12H,3-4H2,1-2H3,(H2,13,15,24)