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Molecule:100897
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100897
ContainsElement
N  +, C  +, S  +, Co  +, Cu  +, B  +, F  +, Cl  +, O  +  and H  +
InChI
1S/C36H51N5S3.BF4.2ClHO4.Co.Cu/c1-7-34-8-2-31(1)25-37-13-16-40-17-14-38-26-32-3-9-35(10-4-32)29-43-23-20-41(19-22-42-28-34)21-24-44-30-36-11-5-33(6-12-36)27-39-15-18-40;3*2-1(3,4)5;;/h1-12,37-39H,13-30H2;;2*(H,2,3,4,5);;/q;-1;;;+2;+1/p-2  +
InChIKey
ZJWUZKWEYJRKJX-UHFFFAOYSA-L  +
MolecularFormula
C<sub>36</sub>H<sub>51</sub>BCl<sub>2</sub>CoCuF<sub>4</sub>N<sub>5</sub>O<sub>8</sub>S<sub>3</sub>  +
MolecularMass
1,056.093 g/mol  +
Molfile
-INDIGO-02282410462D 0 0 0 0 0 0 … -INDIGO-02282410462D</br></br> 0 0 0 0 0 0 0 0 0 0 0 V3000</br>M V30 BEGIN CTAB</br>M V30 COUNTS 61 68 0 0 0</br>M V30 BEGIN ATOM</br>M V30 1 N 6.37687 -5.58644 0.0 0</br>M V30 2 C 5.91152 -6.39245 0.0 0</br>M V30 3 C 6.37687 -7.19845 0.0 0</br>M V30 4 S 7.30756 -7.19845 0.0 0</br>M V30 5 Cu 7.71793 -5.11289 0.0 0 CHG=1</br>M V30 6 C 5.57086 -6.05179 0.0 0</br>M V30 7 C 5.91152 -4.78043 0.0 0</br>M V30 8 C 6.37687 -3.97443 0.0 0</br>M V30 9 S 7.30756 -3.97443 0.0 0</br>M V30 10 C 6.44658 -6.36248 0.0 0</br>M V30 11 S 7.11298 -5.9902 0.0 0</br>M V30 12 N 12.5417 -5.53991 0.0 0</br>M V30 13 C 12.9679 -6.44716 0.0 0</br>M V30 14 C 12.5184 -7.12174 0.0 0</br>M V30 15 N 11.6195 -7.145 0.0 0</br>M V30 16 Co 11.2177 -5.17643 0.0 0 CHG=2</br>M V30 17 C 13.3791 -5.98934 0.0 0</br>M V30 18 C 12.8981 -4.72573 0.0 0</br>M V30 19 C 12.4952 -3.95808 0.0 0</br>M V30 20 N 11.5963 -3.95808 0.0 0</br>M V30 21 C 12.5543 -6.36077 0.0 0</br>M V30 22 N 11.8564 -6.02768 0.0 0</br>M V30 23 C 8.96799 -3.68348 0.0 0</br>M V30 24 C 8.96646 -2.0731 0.0 0</br>M V30 25 C 8.502 -2.87708 0.0 0</br>M V30 26 C 9.89803 -2.07248 0.0 0</br>M V30 27 C 9.90329 -3.68285 0.0 0</br>M V30 28 C 10.3635 -2.8738 0.0 0</br>M V30 29 C 8.52388 -8.99777 0.0 0</br>M V30 30 C 9.91775 -8.19125 0.0 0</br>M V30 31 C 8.98926 -8.19102 0.0 0</br>M V30 32 C 10.3841 -8.99771 0.0 0</br>M V30 33 C 8.99206 -9.80742 0.0 0</br>M V30 34 C 9.92283 -9.80146 0.0 0</br>M V30 35 C 8.51791 -6.9594 0.0 0</br>M V30 36 C 9.91232 -6.15382 0.0 0</br>M V30 37 C 8.98383 -6.15296 0.0 0</br>M V30 38 C 10.3781 -6.96059 0.0 0</br>M V30 39 C 8.98557 -7.7694 0.0 0</br>M V30 40 C 9.91631 -7.764 0.0 0</br>M V30 41 C 7.627 -2.87714 0.0 0</br>M V30 42 C 11.2384 -2.86928 0.0 0</br>M V30 43 C 7.66298 -6.78122 0.0 0</br>M V30 44 C 11.1243 -6.75978 0.0 0</br>M V30 45 C 7.56638 -8.33938 0.0 0</br>M V30 46 C 11.3091 -8.44771 0.0 0</br>M V30 47 B 4.575 -2.3 0.0 0 CHG=-1</br>M V30 48 F 5.575 -2.3 0.0 0</br>M V30 49 F 3.575 -2.3 0.0 0</br>M V30 50 F 4.575 -1.3 0.0 0</br>M V30 51 F 4.575 -3.3 0.0 0</br>M V30 52 Cl 15.175 -2.625 0.0 0</br>M V30 53 O 16.175 -2.625 0.0 0 CHG=-1</br>M V30 54 O 14.175 -2.625 0.0 0</br>M V30 55 O 15.175 -1.625 0.0 0</br>M V30 56 O 15.175 -3.625 0.0 0</br>M V30 57 Cl 15.075 -8.925 0.0 0</br>M V30 58 O 16.075 -8.925 0.0 0 CHG=-1</br>M V30 59 O 14.075 -8.925 0.0 0</br>M V30 60 O 15.075 -7.925 0.0 0</br>M V30 61 O 15.075 -9.925 0.0 0</br>M V30 END ATOM</br>M V30 BEGIN BOND</br>M V30 1 1 1 2</br>M V30 2 1 2 3</br>M V30 3 1 3 4</br>M V30 4 10 1 5</br>M V30 5 1 1 6 CFG=1</br>M V30 6 1 1 7 CFG=3</br>M V30 7 1 7 8</br>M V30 8 1 8 9</br>M V30 9 10 9 5</br>M V30 10 1 6 10</br>M V30 11 1 10 11</br>M V30 12 10 11 5</br>M V30 13 10 4 5</br>M V30 14 1 12 13</br>M V30 15 1 13 14</br>M V30 16 1 14 15</br>M V30 17 10 12 16</br>M V30 18 1 12 17 CFG=1</br>M V30 19 1 12 18 CFG=3</br>M V30 20 1 18 19</br>M V30 21 1 19 20</br>M V30 22 10 20 16</br>M V30 23 1 17 21</br>M V30 24 1 21 22</br>M V30 25 10 22 16</br>M V30 26 10 15 16</br>M V30 27 2 25 23</br>M V30 28 2 26 24</br>M V30 29 1 23 27</br>M V30 30 1 24 25</br>M V30 31 2 27 28</br>M V30 32 1 28 26</br>M V30 33 2 31 29</br>M V30 34 2 32 30</br>M V30 35 1 29 33</br>M V30 36 1 30 31</br>M V30 37 2 33 34</br>M V30 38 1 34 32</br>M V30 39 2 37 35</br>M V30 40 2 38 36</br>M V30 41 1 35 39</br>M V30 42 1 36 37</br>M V30 43 2 39 40</br>M V30 44 1 40 38</br>M V30 45 1 25 41</br>M V30 46 1 28 42</br>M V30 47 1 42 20</br>M V30 48 1 41 9</br>M V30 49 1 11 43</br>M V30 50 1 43 35</br>M V30 51 1 22 44</br>M V30 52 1 44 38</br>M V30 53 1 4 45</br>M V30 54 1 45 29</br>M V30 55 1 32 46</br>M V30 56 1 46 15</br>M V30 57 1 47 48</br>M V30 58 1 47 49</br>M V30 59 1 47 50</br>M V30 60 1 47 51</br>M V30 61 1 52 53</br>M V30 62 2 52 54</br>M V30 63 2 52 55</br>M V30 64 2 52 56</br>M V30 65 1 57 58</br>M V30 66 2 57 59</br>M V30 67 2 57 60</br>M V30 68 2 57 61</br>M V30 END BOND</br>M V30 END CTAB</br>M END 61 M V30 END BOND M V30 END CTAB M END  
Smiles
N123CCS4CC5C=CC(CN6[Co+2]78N9CC%10C=CC(CS([Cu+]14S(CC1C=CC(CN7CCN8(CC6)CC9)=CC=1)CC2)CC3)=CC=%10)=CC=5.[B-](F)(F)(F)F.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]  +
Adminstrative properties
Creation date"Creation date" is a predefined property that corresponds to the date of the first revision of a subject and is provided by <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Help:Special_properties">Semantic MediaWiki</a>.
16:28:06, 27 February 2024  +
Last editor is"Last editor is" is a predefined property that contains the page name of the user who created the last revision and is provided by <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Help:Special_properties">Semantic MediaWiki</a>.
User:127.0.0.1 +
Modification date"Modification date" is a predefined property that corresponds to the date of the last modification of a subject and is provided by <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Help:Special_properties">Semantic MediaWiki</a>.
08:23:05, 6 May 2024  +
Classification properties
Category
Molecule
 
Photocatalytic reduction of CO2 +
catContains the molecule used as the catalyst in an experiment or molecular process. ᵖ
 
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