4-(4-chloranyl-2-nitro-phenoxy)-2-(dimethoxyphosphorylmethylsulfanyl)-1-nitro-benzene

Systemtic Name: 4-(4-chloranyl-2-nitro-phenoxy)-2-(dimethoxyphosphorylmethylsulfanyl)-1-nitro-benzene Openeye Name: 4-(4-chloro-2-nitro-phenoxy)-2-(dimethoxyphosphorylmethylsulfanyl)-1-nitro-benzene CAS Name: 4-(4-chloro-2-nitrophenoxy)-2-(dimethoxyphosphorylmethylthio)-1-nitrobenzene IUPAC Name: 4-(4-chloro-2-nitrophenoxy)-2-(dimethoxyphosphorylmethylsulfanyl)-1-nitrobenzene Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-2-(dimethoxyphosphorylmethylthio)-1-nitro-benzene Formula: C15H14ClN2O8PS MolecularWeight: 448.772021

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CSC1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COP(=O)(CSC1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C15H14ClN2O8PS/c1-24-27(23,25-2)9-28-15-8-11(4-5-12(15)17(19)20)26-14-6-3-10(16)7-13(14)18(21)22/h3-8H,9H2,1-2H3