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

Systemtic Name: 2,6-bis[bis(oxidanidyl)azaniumylidene]-5-methoxy-4-nitro-cyclohex-4-ene-1,3-disulfonate Openeye Name: 2,6-bis(dioxidoiminio)-5-methoxy-4-nitro-cyclohex-4-ene-1,3-disulfonate CAS Name: 2,6-bis(dioxidoiminio)-5-methoxy-4-nitrocyclohex-4-ene-1,3-disulfonate IUPAC Name: 2,6-bis(dioxidoazaniumylidene)-5-methoxy-4-nitrocyclohex-4-ene-1,3-disulfonate Traditional Name: 2,6-bis(dioxidoiminio)-5-methoxy-4-nitro-cyclohex-4-ene-1,3-disulfonate Formula: C7H5N3O13S2-4 MolecularWeight: 403.2569

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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/C7H7N3O13S2/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,(H2-2,11,12,15,16,17,18,19,20,21,22)/q-2/p-2