1,2,3,4,5-pentanitro-6-(2-nitrophenyl)sulfanyl-benzene

Systemtic Name: 1,2,3,4,5-pentanitro-6-(2-nitrophenyl)sulfanyl-benzene Openeye Name: 1,2,3,4,5-pentanitro-6-(2-nitrophenyl)sulfanyl-benzene CAS Name: 1,2,3,4,5-pentanitro-6-[(2-nitrophenyl)thio]benzene IUPAC Name: 1,2,3,4,5-pentanitro-6-(2-nitrophenyl)sulfanylbenzene Traditional Name: 1,2,3,4,5-pentanitro-6-[(2-nitrophenyl)thio]benzene Formula: C12H4N6O12S MolecularWeight: 456.25816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=C(C(=C(C(=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=C(C(=C(C(=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H4N6O12S/c19-13(20)5-3-1-2-4-6(5)31-12-10(17(27)28)8(15(23)24)7(14(21)22)9(16(25)26)11(12)18(29)30/h1-4H