2-chloranyl-1-[3-(dimethoxyphosphorylmethylsulfanyl)-4-nitro-phenoxy]-4-(trifluoromethyl)benzene

Systemtic Name: 2-chloranyl-1-[3-(dimethoxyphosphorylmethylsulfanyl)-4-nitro-phenoxy]-4-(trifluoromethyl)benzene Openeye Name: 2-chloro-1-[3-(dimethoxyphosphorylmethylsulfanyl)-4-nitro-phenoxy]-4-(trifluoromethyl)benzene CAS Name: 2-chloro-1-[3-(dimethoxyphosphorylmethylthio)-4-nitrophenoxy]-4-(trifluoromethyl)benzene IUPAC Name: 2-chloro-1-[3-(dimethoxyphosphorylmethylsulfanyl)-4-nitrophenoxy]-4-(trifluoromethyl)benzene Traditional Name: 2-chloro-1-[3-(dimethoxyphosphorylmethylthio)-4-nitro-phenoxy]-4-(trifluoromethyl)benzene Formula: C16H14ClF3NO6PS MolecularWeight: 471.772431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClF3NO6PS/c1-25-28(24,26-2)9-29-15-8-11(4-5-13(15)21(22)23)27-14-6-3-10(7-12(14)17)16(18,19)20/h3-8H,9H2,1-2H3