(11S)-(9,9,10,10,11-²H₅)Hexadecanoic acid

ChemSpider ID: 9463457
Molecular Formula: C₁₆H₂₇D₅O₂
Average mass: 261.454895 Da
Monoisotopic mass: 261.271606 Da
Systematic name

(11S)-(9,9,10,10,11-²H₅)Hexadecanoic acid
SMILES and InChIs

SMILES:

[2H][C@@H](CCCCC)C([2H])([2H])C([2H])([2H])CCCCCCCC(=O)O Copied

Std. InChI:

InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i6D,7D2,8D2/t6-/m0/s1 Copied

Std. InChIKey:

IPCSVZSSVZVIGE-AXLVWHDVSA-N Copied
Cite this record
CSID:9463457, http://www.chemspider.com/Chemical-Structure.9463457.html (accessed 11:33, May 26, 2012) Copied

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Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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