InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1

【InChIKey】

InChIKey=ZNHVWPKMFKADKW-LQWMCKPYSA-N

【SMILES】

CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O

【MOL File】

12(S)-HETE.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:3

XLogP3:6.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

【Safety informationSymbol】

GHS02

【hazard symbol】

【Risk Code】

【Safe Code】

7-16

【WGK Germany】

4CML File

12(S)-HETE.cml

Quick Release

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54397-83-0 12(S)-HETE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】