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5-dodecyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylate

5-dodecyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylate

Systemtic Name:5-dodecyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylate
Openeye Name:5-dodecyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylate
CAS Name:5-dodecyl-4-[2-(2-methylbutyl)phenyl]-2-pyridinecarboxylate
IUPAC Name:5-dodecyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylate
Traditional Name:5-lauryl-4-[2-(2-methylbutyl)phenyl]picolinate
Formula: C29H42NO2-
MolecularWeight: 436.64928
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(C=C1C2=CC=CC=C2CC(C)CC)C(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(C=C1C2=CC=CC=C2CC(C)CC)C(=O)[O-]


InChI

InChI=1S/C29H43NO2/c1-4-6-7-8-9-10-11-12-13-14-18-25-22-30-28(29(31)32)21-27(25)26-19-16-15-17-24(26)20-23(3)5-2/h15-17,19,21-23H,4-14,18,20H2,1-3H3,(H,31,32)/p-1


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