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

Systemtic Name: 4-chloranyl-2-(4-methylphenyl)sulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene Openeye Name: 4-chloro-1,3-dinitro-2-(p-tolylsulfanyl)-5-(trifluoromethyl)benzene CAS Name: 4-chloro-2-[(4-methylphenyl)thio]-1,3-dinitro-5-(trifluoromethyl)benzene IUPAC Name: 4-chloro-2-(4-methylphenyl)sulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene Traditional Name: 4-chloro-1,3-dinitro-2-(p-tolylthio)-5-(trifluoromethyl)benzene Formula: C14H8ClF3N2O4S MolecularWeight: 392.73753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H8ClF3N2O4S/c1-7-2-4-8(5-3-7)25-13-10(19(21)22)6-9(14(16,17)18)11(15)12(13)20(23)24/h2-6H,1H3