2-(2-methylsulfanylethylsulfanyl)-1,3,5-trinitro-benzene

Systemtic Name: 2-(2-methylsulfanylethylsulfanyl)-1,3,5-trinitro-benzene Openeye Name: 2-(2-methylsulfanylethylsulfanyl)-1,3,5-trinitro-benzene CAS Name: 2-[2-(methylthio)ethylthio]-1,3,5-trinitrobenzene IUPAC Name: 2-(2-methylsulfanylethylsulfanyl)-1,3,5-trinitrobenzene Traditional Name: 2-[2-(methylthio)ethylthio]-1,3,5-trinitro-benzene Formula: C9H9N3O6S2 MolecularWeight: 319.31426

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Descriptors Computed from Structure

Canonical SMILES:

CSCCSC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSCCSC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O6S2/c1-19-2-3-20-9-7(11(15)16)4-6(10(13)14)5-8(9)12(17)18/h4-5H,2-3H2,1H3