1-(1,1-dinitroethylsulfanyl)-2-nitro-benzene

Systemtic Name: 1-(1,1-dinitroethylsulfanyl)-2-nitro-benzene Openeye Name: 1-(1,1-dinitroethylsulfanyl)-2-nitro-benzene CAS Name: 1-(1,1-dinitroethylthio)-2-nitrobenzene IUPAC Name: 1-(1,1-dinitroethylsulfanyl)-2-nitrobenzene Traditional Name: 1-(1,1-dinitroethylthio)-2-nitro-benzene Formula: C8H7N3O6S MolecularWeight: 273.22268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7N3O6S/c1-8(10(14)15,11(16)17)18-7-5-3-2-4-6(7)9(12)13/h2-5H,1H3