2-[3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]oxycarbonylpyridine-3-carboxylic acid

Systemtic Name: 2-[3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]oxycarbonylpyridine-3-carboxylic acid Openeye Name: 2-(1-formyl-2,3,4,5-tetrahydroxy-pentoxy)carbonylpyridine-3-carboxylic acid CAS Name: 2-[oxo-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)oxymethyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)oxycarbonylpyridine-3-carboxylic acid Traditional Name: 2-(1-formyl-2,3,4,5-tetrahydroxy-pentoxy)carbonylnicotinic acid Formula: C13H15NO9 MolecularWeight: 329.2595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C(=O)OC(C=O)C(C(C(CO)O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)C(=O)OC(C=O)C(C(C(CO)O)O)O)C(=O)O

InChI

InChI=1S/C13H15NO9/c15-4-7(17)10(18)11(19)8(5-16)23-13(22)9-6(12(20)21)2-1-3-14-9/h1-3,5,7-8,10-11,15,17-19H,4H2,(H,20,21)