2,3-bis(oxidanyl)propyl octanoate; pyridine-3-carboxylic acid

Systemtic Name: 2,3-bis(oxidanyl)propyl octanoate; pyridine-3-carboxylic acid Openeye Name: 2,3-dihydroxypropyl octanoate; nicotinic acid CAS Name: octanoic acid 2,3-dihydroxypropyl ester; 3-pyridinecarboxylic acid IUPAC Name: 2,3-dihydroxypropyl octanoate; pyridine-3-carboxylic acid Traditional Name: caprylic acid glyceryl ester; nicotinic acid Formula: C17H27NO6 MolecularWeight: 341.39938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(CO)O.C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)OCC(CO)O.C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C11H22O4.C6H5NO2/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12;8-6(9)5-2-1-3-7-4-5/h10,12-13H,2-9H2,1H3;1-4H,(H,8,9)