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

Systemtic Name: 2-chloranyl-1-[3-(diethoxyphosphorylmethylsulfanyl)-4-nitro-phenoxy]-4-(trifluoromethyl)benzene Openeye Name: 2-chloro-1-[3-(diethoxyphosphorylmethylsulfanyl)-4-nitro-phenoxy]-4-(trifluoromethyl)benzene CAS Name: 2-chloro-1-[3-(diethoxyphosphorylmethylthio)-4-nitrophenoxy]-4-(trifluoromethyl)benzene IUPAC Name: 2-chloro-1-[3-(diethoxyphosphorylmethylsulfanyl)-4-nitrophenoxy]-4-(trifluoromethyl)benzene Traditional Name: 2-chloro-1-[3-(diethoxyphosphorylmethylthio)-4-nitro-phenoxy]-4-(trifluoromethyl)benzene Formula: C18H18ClF3NO6PS MolecularWeight: 499.825591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClF3NO6PS/c1-3-27-30(26,28-4-2)11-31-17-10-13(6-7-15(17)23(24)25)29-16-8-5-12(9-14(16)19)18(20,21)22/h5-10H,3-4,11H2,1-2H3