[(2R,3R,4S)-2-oxidanyl-5-oxidanylidene-3,4,6-tris(pyridin-3-ylcarbonyloxy)hexyl] pyridine-3-carboxylate

Systemtic Name: [(2R,3R,4S)-2-oxidanyl-5-oxidanylidene-3,4,6-tris(pyridin-3-ylcarbonyloxy)hexyl] pyridine-3-carboxylate Openeye Name: [(2R,3R,4S)-2-hydroxy-5-oxo-3,4,6-tris(pyridine-3-carbonyloxy)hexyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(2R,3R,4S)-2-hydroxy-5-oxo-3,4,6-tris[oxo(3-pyridinyl)methoxy]hexyl] ester IUPAC Name: [(2R,3R,4S)-2-hydroxy-5-oxo-3,4,6-tris(pyridine-3-carbonyloxy)hexyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(2R,3R,4S)-2-hydroxy-5-keto-3,4,6-trinicotinoyloxy-hexyl] ester Formula: C30H24N4O10 MolecularWeight: 600.53236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OC[C@H]([C@H]([C@@H](C(=O)COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)O

InChI

InChI=1S/C30H24N4O10/c35-23(17-41-27(37)19-5-1-9-31-13-19)25(43-29(39)21-7-3-11-33-15-21)26(44-30(40)22-8-4-12-34-16-22)24(36)18-42-28(38)20-6-2-10-32-14-20/h1-16,23,25-26,35H,17-18H2/t23-,25-,26-/m1/s1