Magnesium, (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dionato-N1)(9-octadecenoato-O)-, (Z)-
CAS Registry Number®
6767-73-3
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CAS Name
Magnesium, (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dionato-N1)(9-octadecenoato-O)-, (Z)-Molecular Formula
C25H40MgN4O4Cite this Page
Magnesium, (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dionato-N1)(9-octadecenoato-O)-, (Z)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=6767-73-3 (retrieved ) (CAS RN: 6767-73-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C18H34O2.C7H8N4O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;/h9-10H,2-8,11-17H2,1H3,(H,19,20);3H,1-2H3,(H,9,12,13);/q;;+2/p-2/b10-9-;;
InChIKey
InChIKey=CMAIXUNGPMYEQR-XXAVUKJNSA-L
SMILES
O=C1C2=C(N(C)C(=O)N1[Mg]OC(CCCCCCC/C=C\CCCCCCCC)=O)N=CN2C
Canonical SMILES
O=C(O[Mg]N1C(=O)C2=C(N=CN2C)N(C1=O)C)CCCCCCCC=CCCCCCCCC
Other Names for this Substance
- Magnesium, (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dionato-N1)(9-octadecenoato-O)-, (Z)-
- Oleic acid, magnesium salt, compd. with theobromine
- 9-Octadecenoic acid (Z)-, magnesium complex
- 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-, magnesium complex
- Theobromine, oleic acid magnesium double salt