4-(2-octyldodecyl)pyridine-3-carboxylic acid

Systemtic Name: 4-(2-octyldodecyl)pyridine-3-carboxylic acid Openeye Name: 4-(2-octyldodecyl)pyridine-3-carboxylic acid CAS Name: 4-(2-octyldodecyl)-3-pyridinecarboxylic acid IUPAC Name: 4-(2-octyldodecyl)pyridine-3-carboxylic acid Traditional Name: 4-(2-octyldodecyl)nicotinic acid Formula: C26H45NO2 MolecularWeight: 403.641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)CC1=C(C=NC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)CC1=C(C=NC=C1)C(=O)O

InChI

InChI=1S/C26H45NO2/c1-3-5-7-9-11-12-14-16-18-23(17-15-13-10-8-6-4-2)21-24-19-20-27-22-25(24)26(28)29/h19-20,22-23H,3-18,21H2,1-2H3,(H,28,29)