2-hexyl-2-(hydroxymethyl)propane-1,3-diol; pyridine-3-carboxylic acid

Systemtic Name: 2-hexyl-2-(hydroxymethyl)propane-1,3-diol; pyridine-3-carboxylic acid Openeye Name: 2-hexyl-2-(hydroxymethyl)propane-1,3-diol; nicotinic acid CAS Name: 2-hexyl-2-(hydroxymethyl)propane-1,3-diol; 3-pyridinecarboxylic acid IUPAC Name: 2-hexyl-2-(hydroxymethyl)propane-1,3-diol; pyridine-3-carboxylic acid Traditional Name: 2-hexyl-2-methylol-propane-1,3-diol; nicotinic acid Formula: C28H37N3O9 MolecularWeight: 559.60808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CO)(CO)CO.C1=CC(=CN=C1)C(=O)O.C1=CC(=CN=C1)C(=O)O.C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

CCCCCCC(CO)(CO)CO.C1=CC(=CN=C1)C(=O)O.C1=CC(=CN=C1)C(=O)O.C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C10H22O3.3C6H5NO2/c1-2-3-4-5-6-10(7-11,8-12)9-13;3*8-6(9)5-2-1-3-7-4-5/h11-13H,2-9H2,1H3;3*1-4H,(H,8,9)