(3,4,5-trioctadecoxyphenyl)methyl 5-(3-methanoylphenyl)pyridine-3-carboxylate

Systemtic Name: (3,4,5-trioctadecoxyphenyl)methyl 5-(3-methanoylphenyl)pyridine-3-carboxylate Openeye Name: (3,4,5-trioctadecoxyphenyl)methyl 5-(3-formylphenyl)pyridine-3-carboxylate CAS Name: 5-(3-formylphenyl)-3-pyridinecarboxylic acid (3,4,5-trioctadecoxyphenyl)methyl ester IUPAC Name: (3,4,5-trioctadecoxyphenyl)methyl 5-(3-formylphenyl)pyridine-3-carboxylate Traditional Name: 5-(3-formylphenyl)nicotinic acid (3,4,5-tristearyloxybenzyl) ester Formula: C74H123NO6 MolecularWeight: 1122.77152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)COC(=O)C2=CN=CC(=C2)C3=CC(=CC=C3)C=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)COC(=O)C2=CN=CC(=C2)C3=CC(=CC=C3)C=O

InChI

InChI=1S/C74H123NO6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55-78-71-59-67(65-81-74(77)70-61-69(62-75-63-70)68-54-52-53-66(58-68)64-76)60-72(79-56-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)73(71)80-57-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h52-54,58-64H,4-51,55-57,65H2,1-3H3