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

Systemtic Name: 4-methoxycarbonyl-5-nitro-N1,N3-bis(oxidanyl)-2,6-disulfo-cyclohex-4-ene-1,3-diimine oxide Openeye Name: N1,N3-dihydroxy-4-methoxycarbonyl-5-nitro-2,6-disulfo-cyclohex-4-ene-1,3-diimine oxide CAS Name: N1,N3-dihydroxy-4-methoxycarbonyl-5-nitro-2,6-disulfocyclohex-4-ene-1,3-diimine oxide IUPAC Name: 1-N,3-N-dihydroxy-4-methoxycarbonyl-5-nitro-2,6-disulfocyclohex-4-ene-1,3-diimine oxide Traditional Name: 4-carbomethoxy-N,N'-dihydroxy-5-nitro-2,6-disulfo-cyclohex-4-ene-1,3-diimine oxide Formula: C8H9N3O14S2 MolecularWeight: 435.29876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)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

COC(=O)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/C8H9N3O14S2/c1-25-8(12)2-3(9(13)14)6(26(19,20)21)5(11(17)18)7(27(22,23)24)4(2)10(15)16/h6-7H,1H3,(H,13,14)(H,17,18)(H,19,20,21)(H,22,23,24)