calcium didocosanoate

ChemSpider ID: 141207
Molecular Formula: C₄₄H₈₆CaO₄
Average mass: 719.229187 Da
Monoisotopic mass: 718.615173 Da
Systematic name

Calcium didocosanoate
SMILES and InChIs

SMILES:

[Ca+2].[O-]C(=O)CCCCCCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCCCCCC Copied

Std. InChI:

InChI=1S/2C22H44O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2*2-21H2,1H3,(H,23,24);/q;;+2/p-2 Copied

Std. InChIKey:

SMBKCSPGKDEPFO-UHFFFAOYSA-L Copied
Cite this record
CSID:141207, http://www.chemspider.com/Chemical-Structure.141207.html (accessed 06:05, May 26, 2013) Copied

Names and Identifiers

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

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