5-methyl-2-methylsulfanyl-1,3-dinitro-benzene

Systemtic Name: 5-methyl-2-methylsulfanyl-1,3-dinitro-benzene Openeye Name: 5-methyl-2-methylsulfanyl-1,3-dinitro-benzene CAS Name: 5-methyl-2-(methylthio)-1,3-dinitrobenzene IUPAC Name: 5-methyl-2-methylsulfanyl-1,3-dinitrobenzene Traditional Name: 5-methyl-2-(methylthio)-1,3-dinitro-benzene Formula: C8H8N2O4S MolecularWeight: 228.22512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])SC)[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O4S/c1-5-3-6(9(11)12)8(15-2)7(4-5)10(13)14/h3-4H,1-2H3