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

Systemtic Name: 4-chloranyl-1,3-dinitro-2-propan-2-ylsulfanyl-5-(trifluoromethyl)benzene Openeye Name: 4-chloro-2-isopropylsulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene CAS Name: 4-chloro-1,3-dinitro-2-(propan-2-ylthio)-5-(trifluoromethyl)benzene IUPAC Name: 4-chloro-1,3-dinitro-2-propan-2-ylsulfanyl-5-(trifluoromethyl)benzene Traditional Name: 4-chloro-2-(isopropylthio)-1,3-dinitro-5-(trifluoromethyl)benzene Formula: C10H8ClF3N2O4S MolecularWeight: 344.69473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)SC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H8ClF3N2O4S/c1-4(2)21-9-6(15(17)18)3-5(10(12,13)14)7(11)8(9)16(19)20/h3-4H,1-2H3