1,2-dinitro-3-oxidanylsulfanyl-benzene; 2,3-dinitro-7-thiabicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: 1,2-dinitro-3-oxidanylsulfanyl-benzene; 2,3-dinitro-7-thiabicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: 2,3-dinitro-7-thiabicyclo[2.2.1]hepta-1,3,5-triene; 1-hydroxysulfanyl-2,3-dinitro-benzene CAS Name: 2,3-dinitrobenzenesulfenic acid; 2,3-dinitro-7-thiabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: 2,3-dinitro-7-thiabicyclo[2.2.1]hepta-1,3,5-triene; 1-hydroxysulfanyl-2,3-dinitrobenzene Traditional Name: 1,2-dinitro-3-sulfeno-benzene; 2,3-dinitro-7-thiabicyclo[2.2.1]hepta-1,3,5-triene Formula: C12H6N4O9S2 MolecularWeight: 414.32744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)SO)[N+](=O)[O-])[N+](=O)[O-].C1=CC2=C(C(=C1S2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)SO)[N+](=O)[O-])[N+](=O)[O-].C1=CC2=C(C(=C1S2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H4N2O5S.C6H2N2O4S/c9-7(10)4-2-1-3-5(14-13)6(4)8(11)12;9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h1-3,13H;1-2H