2-[(3,4-dinitrophenyl)-oxidanyl-phosphinothioyl]sulfanyl-N-methyl-N-(1,3-oxathiolan-2-ylmethyl)ethanamide

Systemtic Name: 2-[(3,4-dinitrophenyl)-oxidanyl-phosphinothioyl]sulfanyl-N-methyl-N-(1,3-oxathiolan-2-ylmethyl)ethanamide Openeye Name: 2-[(3,4-dinitrophenyl)-hydroxy-phosphinothioyl]sulfanyl-N-methyl-N-(1,3-oxathiolan-2-ylmethyl)acetamide CAS Name: 2-[[(3,4-dinitrophenyl)-hydroxyphosphinothioyl]thio]-N-methyl-N-(1,3-oxathiolan-2-ylmethyl)acetamide IUPAC Name: 2-[(3,4-dinitrophenyl)-hydroxyphosphinothioyl]sulfanyl-N-methyl-N-(1,3-oxathiolan-2-ylmethyl)acetamide Traditional Name: 2-[[(3,4-dinitrophenyl)-hydroxy-thiophosphoryl]thio]-N-methyl-N-(1,3-oxathiolan-2-ylmethyl)acetamide Formula: C13H16N3O7PS3 MolecularWeight: 453.450801

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1OCCS1)C(=O)CSP(=S)(C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CN(CC1OCCS1)C(=O)CSP(=S)(C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C13H16N3O7PS3/c1-14(7-13-23-4-5-26-13)12(17)8-27-24(22,25)9-2-3-10(15(18)19)11(6-9)16(20)21/h2-3,6,13H,4-5,7-8H2,1H3,(H,22,25)