(12S)-(10,10,11,11,12-²H₅)Hexadecanoic acid

ChemSpider ID: 9554901
Molecular Formula: C₁₆H₂₇D₅O₂
Average mass: 261.454895 Da
Monoisotopic mass: 261.271606 Da
Systematic name

(12S)-(10,10,11,11,12-²H₅)Hexadecanoic acid
SMILES and InChIs

SMILES:

[2H][C@@H](CCCC)C([2H])([2H])C([2H])([2H])CCCCCCCCC(=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)/i5D,6D2,7D2/t5-/m0/s1 Copied

Std. InChIKey:

IPCSVZSSVZVIGE-UUGFZWARSA-N Copied
Cite this record
CSID:9554901, http://www.chemspider.com/Chemical-Structure.9554901.html (accessed 15:50, May 23, 2013) 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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