2,6-bis[bis(oxidanidyl)azaniumylidene]-5-methoxycarbonyl-4-nitro-cyclohex-4-ene-1,3-disulfonate

Systemtic Name: 2,6-bis[bis(oxidanidyl)azaniumylidene]-5-methoxycarbonyl-4-nitro-cyclohex-4-ene-1,3-disulfonate Openeye Name: 2,6-bis(dioxidoiminio)-5-methoxycarbonyl-4-nitro-cyclohex-4-ene-1,3-disulfonate CAS Name: 2,6-bis(dioxidoiminio)-5-methoxycarbonyl-4-nitrocyclohex-4-ene-1,3-disulfonate IUPAC Name: 2,6-bis(dioxidoazaniumylidene)-5-methoxycarbonyl-4-nitrocyclohex-4-ene-1,3-disulfonate Traditional Name: 5-carbomethoxy-2,6-bis(dioxidoiminio)-4-nitro-cyclohex-4-ene-1,3-disulfonate Formula: C8H5N3O14S2-4 MolecularWeight: 431.267

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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/C8H7N3O14S2/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,(H2-2,13,14,17,18,19,20,21,22,23,24)/q-2/p-2