6-(4-octadecylphenyl)pyridine-3-carboxylic acid

Systemtic Name: 6-(4-octadecylphenyl)pyridine-3-carboxylic acid Openeye Name: 6-(4-octadecylphenyl)pyridine-3-carboxylic acid CAS Name: 6-(4-octadecylphenyl)-3-pyridinecarboxylic acid IUPAC Name: 6-(4-octadecylphenyl)pyridine-3-carboxylic acid Traditional Name: 6-(4-stearylphenyl)nicotinic acid Formula: C30H45NO2 MolecularWeight: 451.6838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C30H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21-27(22-20-26)29-24-23-28(25-31-29)30(32)33/h19-25H,2-18H2,1H3,(H,32,33)