[2,3,4,5,6-pentakis(pyridin-3-ylcarbonyloxy)cyclohexyl] pyridine-3-carboxylate

Systemtic Name: [2,3,4,5,6-pentakis(pyridin-3-ylcarbonyloxy)cyclohexyl] pyridine-3-carboxylate Openeye Name: [2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2,3,4,5,6-pentakis[oxo(3-pyridinyl)methoxy]cyclohexyl] ester IUPAC Name: [2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate Traditional Name: nicotinic acid (2,3,4,5,6-pentanicotinoyloxycyclohexyl) ester Formula: C42H30N6O12 MolecularWeight: 810.7206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6)OC(=O)C7=CN=CC=C7

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6)OC(=O)C7=CN=CC=C7

InChI

InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H