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

Systemtic Name: 5-nitro-N1,N3-bis(oxidanyl)-2,6-disulfo-cyclohex-4-ene-1,3-diimine oxide Openeye Name: N1,N3-dihydroxy-5-nitro-2,6-disulfo-cyclohex-4-ene-1,3-diimine oxide CAS Name: N1,N3-dihydroxy-5-nitro-2,6-disulfocyclohex-4-ene-1,3-diimine oxide IUPAC Name: 1-N,3-N-dihydroxy-5-nitro-2,6-disulfocyclohex-4-ene-1,3-diimine oxide Traditional Name: N,N'-dihydroxy-5-nitro-2,6-disulfo-cyclohex-4-ene-1,3-diimine oxide Formula: C6H7N3O12S2 MolecularWeight: 377.26268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C\1=C(C(/C(=[N+](/O)\[O-])/C(/C1=[N+](/O)\[O-])S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C6H7N3O12S2/c10-7(11)2-1-3(8(12)13)6(23(19,20)21)4(9(14)15)5(2)22(16,17)18/h1,5-6H,(H,10,11)(H,14,15)(H,16,17,18)(H,19,20,21)