2-hexyl-5-oxidanyl-3-oxidanylidene-hexadecanoic acid

Systemtic Name: 2-hexyl-5-oxidanyl-3-oxidanylidene-hexadecanoic acid Openeye Name: 2-hexyl-5-hydroxy-3-oxo-hexadecanoic acid CAS Name: 2-hexyl-5-hydroxy-3-oxohexadecanoic acid IUPAC Name: 2-hexyl-5-hydroxy-3-oxohexadecanoic acid Traditional Name: 2-hexyl-5-hydroxy-3-keto-palmitic acid Formula: C22H42O4 MolecularWeight: 370.56648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)C(CCCCCC)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)C(CCCCCC)C(=O)O)O

InChI

InChI=1S/C22H42O4/c1-3-5-7-9-10-11-12-13-14-16-19(23)18-21(24)20(22(25)26)17-15-8-6-4-2/h19-20,23H,3-18H2,1-2H3,(H,25,26)