4-chloranyl-1,3-dinitro-5-(trifluoromethyl)-2-[2,4,5-tris(chloranyl)phenyl]sulfanyl-benzene

Systemtic Name: 4-chloranyl-1,3-dinitro-5-(trifluoromethyl)-2-[2,4,5-tris(chloranyl)phenyl]sulfanyl-benzene Openeye Name: 4-chloro-1,3-dinitro-2-(2,4,5-trichlorophenyl)sulfanyl-5-(trifluoromethyl)benzene CAS Name: 4-chloro-1,3-dinitro-2-[(2,4,5-trichlorophenyl)thio]-5-(trifluoromethyl)benzene IUPAC Name: 4-chloro-1,3-dinitro-2-(2,4,5-trichlorophenyl)sulfanyl-5-(trifluoromethyl)benzene Traditional Name: 4-chloro-1,3-dinitro-2-[(2,4,5-trichlorophenyl)thio]-5-(trifluoromethyl)benzene Formula: C13H3Cl4F3N2O4S MolecularWeight: 482.04613

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1[N+](=O)[O-])SC2=CC(=C(C=C2Cl)Cl)Cl)[N+](=O)[O-])Cl)C(F)(F)F

Isomeric SMILES

C1=C(C(=C(C(=C1[N+](=O)[O-])SC2=CC(=C(C=C2Cl)Cl)Cl)[N+](=O)[O-])Cl)C(F)(F)F

InChI

InChI=1S/C13H3Cl4F3N2O4S/c14-5-2-7(16)9(3-6(5)15)27-12-8(21(23)24)1-4(13(18,19)20)10(17)11(12)22(25)26/h1-3H