1-[6-(2,4-dinitrophenyl)sulfanylhexylsulfanyl]-2,4-dinitro-benzene

Systemtic Name: 1-[6-(2,4-dinitrophenyl)sulfanylhexylsulfanyl]-2,4-dinitro-benzene Openeye Name: 1-[6-(2,4-dinitrophenyl)sulfanylhexylsulfanyl]-2,4-dinitro-benzene CAS Name: 1-[6-[(2,4-dinitrophenyl)thio]hexylthio]-2,4-dinitrobenzene IUPAC Name: 1-[6-(2,4-dinitrophenyl)sulfanylhexylsulfanyl]-2,4-dinitrobenzene Traditional Name: 1-[6-[(2,4-dinitrophenyl)thio]hexylthio]-2,4-dinitro-benzene Formula: C18H18N4O8S2 MolecularWeight: 482.48752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCCCCCCSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCCCCCCSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O8S2/c23-19(24)13-5-7-17(15(11-13)21(27)28)31-9-3-1-2-4-10-32-18-8-6-14(20(25)26)12-16(18)22(29)30/h5-8,11-12H,1-4,9-10H2