7-nitro-4-(4-nitrophenyl)sulfanyl-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 7-nitro-4-(4-nitrophenyl)sulfanyl-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 7-nitro-4-(4-nitrophenyl)sulfanyl-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 7-nitro-4-[(4-nitrophenyl)thio]-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 7-nitro-4-(4-nitrophenyl)sulfanyl-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 4-nitro-7-[(4-nitrophenyl)thio]-1-oxido-benzofurazan-1-ium Formula: C12H6N4O6S MolecularWeight: 334.26424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H6N4O6S/c17-14(18)7-1-3-8(4-2-7)23-10-6-5-9(15(19)20)11-12(10)16(21)22-13-11/h1-6H