4-chloranyl-2-(2,4-dichlorophenyl)sulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene

Systemtic Name: 4-chloranyl-2-(2,4-dichlorophenyl)sulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene Openeye Name: 4-chloro-2-(2,4-dichlorophenyl)sulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene CAS Name: 4-chloro-2-[(2,4-dichlorophenyl)thio]-1,3-dinitro-5-(trifluoromethyl)benzene IUPAC Name: 4-chloro-2-(2,4-dichlorophenyl)sulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene Traditional Name: 4-chloro-2-[(2,4-dichlorophenyl)thio]-1,3-dinitro-5-(trifluoromethyl)benzene Formula: C13H4Cl3F3N2O4S MolecularWeight: 447.60107

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)SC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)SC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H4Cl3F3N2O4S/c14-5-1-2-9(7(15)3-5)26-12-8(20(22)23)4-6(13(17,18)19)10(16)11(12)21(24)25/h1-4H