[diethoxyphosphoryl-(4-nitrophenyl)methyl] thiocyanate

Systemtic Name: [diethoxyphosphoryl-(4-nitrophenyl)methyl] thiocyanate Openeye Name: [diethoxyphosphoryl-(4-nitrophenyl)methyl] thiocyanate CAS Name: thiocyanic acid [diethoxyphosphoryl-(4-nitrophenyl)methyl] ester IUPAC Name: [diethoxyphosphoryl-(4-nitrophenyl)methyl] thiocyanate Traditional Name: thiocyanic acid [diethoxyphosphoryl-(4-nitrophenyl)methyl] ester Formula: C12H15N2O5PS MolecularWeight: 330.296661

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=C(C=C1)[N+](=O)[O-])SC#N)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC=C(C=C1)[N+](=O)[O-])SC#N)OCC

InChI

InChI=1S/C12H15N2O5PS/c1-3-18-20(17,19-4-2)12(21-9-13)10-5-7-11(8-6-10)14(15)16/h5-8,12H,3-4H2,1-2H3