(3,4,5-trioctadecoxyphenyl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (3,4,5-trioctadecoxyphenyl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (3,4,5-trioctadecoxyphenyl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (3,4,5-trioctadecoxyphenyl)methyl ester IUPAC Name: (3,4,5-trioctadecoxyphenyl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (3,4,5-tristearyloxybenzyl) ester Formula: C67H118BrNO5 MolecularWeight: 1097.56152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C67H118BrNO5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-71-64-55-61(60-74-67(70)62-57-63(68)59-69-58-62)56-65(72-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66(64)73-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h55-59H,4-54,60H2,1-3H3