2-[4,6-bis[1,3-bis(oxidanyl)-1,3-bis(oxidanylidene)propan-2-yl]-1,3,5-triazin-2-yl]propanedioic acid

Systemtic Name: 2-[4,6-bis[1,3-bis(oxidanyl)-1,3-bis(oxidanylidene)propan-2-yl]-1,3,5-triazin-2-yl]propanedioic acid Openeye Name: 2-[4,6-bis(1-carboxy-2-hydroxy-2-oxo-ethyl)-1,3,5-triazin-2-yl]propanedioic acid CAS Name: 2-[4,6-bis(1,3-dihydroxy-1,3-dioxopropan-2-yl)-1,3,5-triazin-2-yl]propanedioic acid IUPAC Name: 2-[4,6-bis(1,3-dihydroxy-1,3-dioxopropan-2-yl)-1,3,5-triazin-2-yl]propanedioic acid Traditional Name: 2-[4,6-bis(1-carboxy-2-hydroxy-2-keto-ethyl)-s-triazin-2-yl]malonic acid Formula: C12H9N3O12 MolecularWeight: 387.21276

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Descriptors Computed from Structure

Canonical SMILES:

C1(=NC(=NC(=N1)C(C(=O)O)C(=O)O)C(C(=O)O)C(=O)O)C(C(=O)O)C(=O)O

Isomeric SMILES

C1(=NC(=NC(=N1)C(C(=O)O)C(=O)O)C(C(=O)O)C(=O)O)C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H9N3O12/c16-7(17)1(8(18)19)4-13-5(2(9(20)21)10(22)23)15-6(14-4)3(11(24)25)12(26)27/h1-3H,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)