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

Systemtic Name: 4-methoxy-5-nitro-N1,N3-bis(oxidanyl)-2,6-disulfo-cyclohex-4-ene-1,3-diimine oxide Openeye Name: N1,N3-dihydroxy-4-methoxy-5-nitro-2,6-disulfo-cyclohex-4-ene-1,3-diimine oxide CAS Name: N1,N3-dihydroxy-4-methoxy-5-nitro-2,6-disulfocyclohex-4-ene-1,3-diimine oxide IUPAC Name: 1-N,3-N-dihydroxy-4-methoxy-5-nitro-2,6-disulfocyclohex-4-ene-1,3-diimine oxide Traditional Name: N,N'-dihydroxy-4-methoxy-5-nitro-2,6-disulfo-cyclohex-4-ene-1,3-diimine oxide Formula: C7H9N3O13S2 MolecularWeight: 407.28866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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\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/C7H9N3O13S2/c1-23-5-2(8(11)12)6(24(17,18)19)4(10(15)16)7(25(20,21)22)3(5)9(13)14/h6-7H,1H3,(H,11,12)(H,15,16)(H,17,18,19)(H,20,21,22)