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

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

Systemtic Name:4-chloranyl-1,3-dinitro-2-propylsulfanyl-5-(trifluoromethyl)benzene
Openeye Name:4-chloro-1,3-dinitro-2-propylsulfanyl-5-(trifluoromethyl)benzene
CAS Name:4-chloro-1,3-dinitro-2-(propylthio)-5-(trifluoromethyl)benzene
IUPAC Name:4-chloro-1,3-dinitro-2-propylsulfanyl-5-(trifluoromethyl)benzene
Traditional Name:4-chloro-1,3-dinitro-2-(propylthio)-5-(trifluoromethyl)benzene
Formula: C10H8ClF3N2O4S
MolecularWeight: 344.69473
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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

CCCSC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C10H8ClF3N2O4S/c1-2-3-21-9-6(15(17)18)4-5(10(12,13)14)7(11)8(9)16(19)20/h4H,2-3H2,1H3


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