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

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

Systemtic Name:2-(4-chlorophenyl)sulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene
Openeye Name:2-(4-chlorophenyl)sulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene
CAS Name:2-[(4-chlorophenyl)thio]-1,3-dinitro-5-(trifluoromethyl)benzene
IUPAC Name:2-(4-chlorophenyl)sulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene
Traditional Name:2-[(4-chlorophenyl)thio]-1,3-dinitro-5-(trifluoromethyl)benzene
Formula: C13H6ClF3N2O4S
MolecularWeight: 378.71095
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Cl


Isomeric SMILES

C1=CC(=CC=C1SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Cl


InChI

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


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