2-(2-butylsulfanylethylsulfanyl)-1,3-dinitro-5-(trifluoromethyl)benzene

Systemtic Name: 2-(2-butylsulfanylethylsulfanyl)-1,3-dinitro-5-(trifluoromethyl)benzene Openeye Name: 2-(2-butylsulfanylethylsulfanyl)-1,3-dinitro-5-(trifluoromethyl)benzene CAS Name: 2-[2-(butylthio)ethylthio]-1,3-dinitro-5-(trifluoromethyl)benzene IUPAC Name: 2-(2-butylsulfanylethylsulfanyl)-1,3-dinitro-5-(trifluoromethyl)benzene Traditional Name: 2-[2-(butylthio)ethylthio]-1,3-dinitro-5-(trifluoromethyl)benzene Formula: C13H15F3N2O4S2 MolecularWeight: 384.39441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCSC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCSCCSC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15F3N2O4S2/c1-2-3-4-23-5-6-24-12-10(17(19)20)7-9(13(14,15)16)8-11(12)18(21)22/h7-8H,2-6H2,1H3