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SMILES string
C[C@]1(CCC/2)C(CCC1C(C)CCCC(C)C)C2=C\C([2H])=C(C[C@@H](OS(=O)([O-])=O)CC3)/C3=C([2H])[2H].[Na+]
InChI
1S/C27H44O4S.Na/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(14-11-20(23)3)31-32(28,29)30;/h12-13,19,21,24-26H,3,6-11,14-18H2,1-2,4-5H3,(H,28,29,30);/q;+1/p-1/b22-12+,23-13-;/t21?,24-,25?,26?,27+;/m0./s1/i3D2,13D;
InChI key
HZXPJUMUSRXXKW-NABXHQOSSA-M
isotopic purity
98 atom % D
assay
97% (CP)
form
liquid
concentration
100 μg/mL in ethanol
technique(s)
mass spectrometry (MS): suitable
application(s)
detection
mass shift
M+3
storage temp.
−20°C
Quality Level
Application
Packaging
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
57.2 °F
flash_point_c
14 °C
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