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13(S)-Hpode
[CAS# 33964-75-9]

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Identification
Name 13(S)-Hpode
Synonyms (13S,9Z,11E)-13-Hydroperoxy-9,11-Octadecadienoic Acid; 13(S)-Hydroperoxy-9Z,11E-Octadecadienoic Acid; 13(S)-Hydroperoxylinoleic Acid
Molecular Structure CAS#: 33964-75-9, 13(S)-Hpode
Molecular Formula C18H32O4
Molecular Weight 312.45
CAS Registry Number 33964-75-9
SMILES [C@@H](\C=C\C=C/CCCCCCCC(=O)O)(CCCCC)OO
InChI 1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1
InChIKey JDSRHVWSAMTSSN-IRQZEAMPSA-N
Properties
Density 1.002g/cm3 (Cal.)
Boiling point 449.856°C at 760 mmHg (Cal.)
Flash point 151.024°C (Cal.)
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