2-[2,6-bis[1,3-bis(oxidanyl)-1,3-bis(oxidanylidene)propan-2-ylidene]-1,2,3-triazinan-2-ium-4-ylidene]propanedioic acid

Systemtic Name: 2-[2,6-bis[1,3-bis(oxidanyl)-1,3-bis(oxidanylidene)propan-2-ylidene]-1,2,3-triazinan-2-ium-4-ylidene]propanedioic acid Openeye Name: 2-[2,6-bis(1-carboxy-2-hydroxy-2-oxo-ethylidene)triazinan-2-ium-4-ylidene]propanedioic acid CAS Name: 2-[2,6-bis(1,3-dihydroxy-1,3-dioxopropan-2-ylidene)-4-triazinan-2-iumylidene]propanedioic acid IUPAC Name: 2-[2,6-bis(1,3-dihydroxy-1,3-dioxopropan-2-ylidene)triazinan-2-ium-4-ylidene]propanedioic acid Traditional Name: 2-[2,6-bis(1-carboxy-2-hydroxy-2-keto-ethylidene)triazinan-2-ium-4-ylidene]malonic acid Formula: C12H10N3O12+ MolecularWeight: 388.2207

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C(=O)O)C(=O)O)N[N+](=C(C(=O)O)C(=O)O)NC1=C(C(=O)O)C(=O)O

Isomeric SMILES

C1C(=C(C(=O)O)C(=O)O)N[N+](=C(C(=O)O)C(=O)O)NC1=C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H9N3O12/c16-7(17)4(8(18)19)2-1-3(5(9(20)21)10(22)23)14-15(13-2)6(11(24)25)12(26)27/h13-14H,1H2,(H5-,16,17,18,19,20,21,22,23,24,25,26,27)/p+1