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

Systemtic Name: 4-chloranyl-1,3-dinitro-2-phenylsulfanyl-5-(trifluoromethyl)benzene Openeye Name: 4-chloro-1,3-dinitro-2-phenylsulfanyl-5-(trifluoromethyl)benzene CAS Name: 4-chloro-1,3-dinitro-2-(phenylthio)-5-(trifluoromethyl)benzene IUPAC Name: 4-chloro-1,3-dinitro-2-phenylsulfanyl-5-(trifluoromethyl)benzene Traditional Name: 4-chloro-1,3-dinitro-2-(phenylthio)-5-(trifluoromethyl)benzene Formula: C13H6ClF3N2O4S MolecularWeight: 378.71095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H6ClF3N2O4S/c14-10-8(13(15,16)17)6-9(18(20)21)12(11(10)19(22)23)24-7-4-2-1-3-5-7/h1-6H