2-octan-3-yl-12-oxidanyl-octadecanoic acid

Systemtic Name: 2-octan-3-yl-12-oxidanyl-octadecanoic acid Openeye Name: 2-(1-ethylhexyl)-12-hydroxy-octadecanoic acid CAS Name: 12-hydroxy-2-octan-3-yloctadecanoic acid IUPAC Name: 12-hydroxy-2-octan-3-yloctadecanoic acid Traditional Name: 2-(1-ethylhexyl)-12-hydroxy-stearic acid Formula: C26H52O3 MolecularWeight: 412.68928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCC(C(CC)CCCCC)C(=O)O)O

Isomeric SMILES

CCCCCCC(CCCCCCCCCC(C(CC)CCCCC)C(=O)O)O

InChI

InChI=1S/C26H52O3/c1-4-7-9-16-20-24(27)21-17-13-11-10-12-14-18-22-25(26(28)29)23(6-3)19-15-8-5-2/h23-25,27H,4-22H2,1-3H3,(H,28,29)