[3,5,6-tris(oxidanyl)-6-pyridin-3-ylcarbonyl-4-pyridin-3-ylcarbonyloxy-oxan-2-yl]methyl pyridine-3-carboxylate

Systemtic Name: [3,5,6-tris(oxidanyl)-6-pyridin-3-ylcarbonyl-4-pyridin-3-ylcarbonyloxy-oxan-2-yl]methyl pyridine-3-carboxylate Openeye Name: [3,5,6-trihydroxy-6-(pyridine-3-carbonyl)-4-(pyridine-3-carbonyloxy)tetrahydropyran-2-yl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3,5,6-trihydroxy-4-[oxo(3-pyridinyl)methoxy]-6-[oxo(3-pyridinyl)methyl]-2-oxanyl]methyl ester IUPAC Name: [3,5,6-trihydroxy-6-(pyridine-3-carbonyl)-4-(pyridine-3-carbonyloxy)oxan-2-yl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid (3,5,6-trihydroxy-6-nicotinoyl-4-nicotinoyloxy-tetrahydropyran-2-yl)methyl ester Formula: C24H21N3O9 MolecularWeight: 495.43824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)C2(C(C(C(C(O2)COC(=O)C3=CN=CC=C3)O)OC(=O)C4=CN=CC=C4)O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)C2(C(C(C(C(O2)COC(=O)C3=CN=CC=C3)O)OC(=O)C4=CN=CC=C4)O)O

InChI

InChI=1S/C24H21N3O9/c28-18-17(13-34-22(31)15-5-2-8-26-11-15)36-24(33,20(29)14-4-1-7-25-10-14)21(30)19(18)35-23(32)16-6-3-9-27-12-16/h1-12,17-19,21,28,30,33H,13H2