5-nitro-N1,N3,4-tris(oxidanyl)-2,6-disulfo-cyclohex-4-ene-1,3-diimine oxide

Systemtic Name: 5-nitro-N1,N3,4-tris(oxidanyl)-2,6-disulfo-cyclohex-4-ene-1,3-diimine oxide Openeye Name: N1,N3,4-trihydroxy-5-nitro-2,6-disulfo-cyclohex-4-ene-1,3-diimine oxide CAS Name: N1,N3,4-trihydroxy-5-nitro-2,6-disulfocyclohex-4-ene-1,3-diimine oxide IUPAC Name: 1-N,3-N,4-trihydroxy-5-nitro-2,6-disulfocyclohex-4-ene-1,3-diimine oxide Traditional Name: N,N',4-trihydroxy-5-nitro-2,6-disulfo-cyclohex-4-ene-1,3-diimine oxide Formula: C6H7N3O13S2 MolecularWeight: 393.26208

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Descriptors Computed from Structure

Canonical SMILES:

C1(C(=[N+](O)[O-])C(C(=[N+](O)[O-])C(=C1[N+](=O)[O-])O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1(/C(=[N+](/O)\[O-])/C(/C(=[N+](/O)\[O-])/C(=C1[N+](=O)[O-])O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C6H7N3O13S2/c10-4-1(7(11)12)5(23(17,18)19)3(9(15)16)6(24(20,21)22)2(4)8(13)14/h5-6,10H,(H,11,12)(H,15,16)(H,17,18,19)(H,20,21,22)