Browse wiki

From ChemWiki
Molecule:100661
Hide groups Hide incoming properties 
Sortkey
100661
Abbreviation
[MoO(2Hqpdt)2][NBu4]  +
ContainsElement
C  +, H  +, Mo  +, N  +, O  +  and S  +
InChI
1S/2C16H20N2O2S2.C16H36N.Mo.O/c2*1-9(19)18-11-8-6-5-7-10(11)17(4)15-12(18)13(21)14(22)16(2,3)20-15;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h2*5-8,12,15,21-22H,1-4H3;5-16H2,1-4H3;;/q;;+1;+3;/p-4  +
InChIKey
NXVSQECHHKIDOQ-UHFFFAOYSA-J  +
MolecularFormula
C<sub>48</sub>H<sub>76</sub>MoN<sub>5</sub>O<sub>5</sub>S<sub>4</sub>  +
MolecularMass
1,028.378 g/mol  +
Molfile
-INDIGO-01242316142D 0 0 0 0 0 0 … -INDIGO-01242316142D</br></br> 0 0 0 0 0 0 0 0 0 0 0 V3000</br>M V30 BEGIN CTAB</br>M V30 COUNTS 63 69 6 0 0</br>M V30 BEGIN ATOM</br>M V30 1 N 17.45 -0.225 0.0 0 CHG=1</br>M V30 2 C 17.45 0.775 0.0 0</br>M V30 3 C 17.1227 1.71991 0.0 0</br>M V30 4 C 17.7773 2.47582 0.0 0</br>M V30 5 C 17.45 3.42073 0.0 0</br>M V30 6 C 16.45 -0.225 0.0 0</br>M V30 7 C 17.45 -1.225 0.0 0</br>M V30 8 C 18.45 -0.225 0.0 0</br>M V30 9 C 19.3949 0.102337 0.0 0</br>M V30 10 C 20.1508 -0.55234 0.0 0</br>M V30 11 C 21.0957 -0.225 0.0 0</br>M V30 12 C 17.7773 -2.16991 0.0 0</br>M V30 13 C 17.1227 -2.92582 0.0 0</br>M V30 14 C 17.45 -3.87073 0.0 0</br>M V30 15 C 15.5051 -0.55234 0.0 0</br>M V30 16 C 14.7492 0.102337 0.0 0</br>M V30 17 C 13.8043 -0.225 0.0 0</br>M V30 18 Mo 9.4 -6.05 0.0 0 CHG=-1</br>M V30 19 S 10.266 -5.55 0.0 0</br>M V30 20 S 8.53397 -6.55 0.0 0</br>M V30 21 S 8.53397 -5.55 0.0 0</br>M V30 22 S 10.266 -6.55 0.0 0</br>M V30 23 O 9.4 -5.05 0.0 0</br>M V30 24 C 5.65985 -5.65007 0.0 0</br>M V30 25 C 7.39015 -5.64959 0.0 0</br>M V30 26 C 6.52664 -5.14997 0.0 0</br>M V30 27 C 7.39015 -6.65053 0.0 0</br>M V30 28 O 5.65985 -6.65502 0.0 0</br>M V30 29 C 6.52882 -7.15003 0.0 0</br>M V30 30 N 6.52694 -4.14923 0.0 0</br>M V30 31 C 5.66045 -3.6486 0.0 0</br>M V30 32 C 4.79366 -4.14871 0.0 0</br>M V30 33 N 4.79336 -5.14945 0.0 0</br>M V30 34 C 3.93015 -3.64909 0.0 0</br>M V30 35 C 3.93015 -2.64814 0.0 0</br>M V30 36 C 5.66045 -2.64366 0.0 0</br>M V30 37 C 4.79148 -2.14864 0.0 0</br>M V30 38 C 5.82171 -7.85714 0.0 0</br>M V30 39 C 7.23593 -7.85714 0.0 0</br>M V30 40 C 3.92734 -5.64945 0.0 0</br>M V30 41 C 7.39296 -3.64923 0.0 0</br>M V30 42 C 7.39302 -2.6492 0.0 0</br>M V30 43 O 8.25895 -4.14924 0.0 0</br>M V30 44 C 13.0574 -6.61528 0.0 0</br>M V30 45 C 11.3274 -6.61576 0.0 0</br>M V30 46 C 12.1908 -7.11532 0.0 0</br>M V30 47 C 11.3274 -5.61495 0.0 0</br>M V30 48 O 13.0574 -5.61046 0.0 0</br>M V30 49 C 12.1886 -5.11552 0.0 0</br>M V30 50 N 12.1904 -8.11592 0.0 0</br>M V30 51 C 13.0568 -8.61649 0.0 0</br>M V30 52 C 13.9235 -8.11644 0.0 0</br>M V30 53 N 13.9238 -7.11584 0.0 0</br>M V30 54 C 14.7869 -8.616 0.0 0</br>M V30 55 C 14.7869 -9.61681 0.0 0</br>M V30 56 C 13.0568 -9.6213 0.0 0</br>M V30 57 C 13.9257 -10.1162 0.0 0</br>M V30 58 C 12.8956 -4.4085 0.0 0</br>M V30 59 C 11.4816 -4.4085 0.0 0</br>M V30 60 C 14.7897 -6.61591 0.0 0</br>M V30 61 C 11.3245 -8.61586 0.0 0</br>M V30 62 C 11.3245 -9.61575 0.0 0</br>M V30 63 O 10.4587 -8.11591 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 1 4 5</br>M V30 5 1 1 6</br>M V30 6 1 1 7</br>M V30 7 1 1 8</br>M V30 8 1 8 9</br>M V30 9 1 9 10</br>M V30 10 1 10 11</br>M V30 11 1 7 12</br>M V30 12 1 12 13</br>M V30 13 1 13 14</br>M V30 14 1 6 15</br>M V30 15 1 15 16</br>M V30 16 1 16 17</br>M V30 17 8 18 19</br>M V30 18 8 18 20</br>M V30 19 8 18 21</br>M V30 20 8 18 22</br>M V30 21 2 18 23</br>M V30 22 1 26 24</br>M V30 23 2 27 25</br>M V30 24 1 24 28</br>M V30 25 1 25 26</br>M V30 26 1 28 29</br>M V30 27 1 29 27</br>M V30 28 1 26 30</br>M V30 29 1 30 31</br>M V30 30 2 31 32</br>M V30 31 1 32 33</br>M V30 32 1 33 24</br>M V30 33 2 35 34</br>M V30 34 1 31 36</br>M V30 35 1 34 32</br>M V30 36 2 36 37</br>M V30 37 1 37 35</br>M V30 38 1 29 38</br>M V30 39 1 29 39</br>M V30 40 1 33 40</br>M V30 41 1 30 41</br>M V30 42 1 42 41</br>M V30 43 2 41 43</br>M V30 44 1 46 44</br>M V30 45 2 47 45</br>M V30 46 1 44 48</br>M V30 47 1 45 46</br>M V30 48 1 48 49</br>M V30 49 1 49 47</br>M V30 50 1 46 50</br>M V30 51 1 50 51</br>M V30 52 2 51 52</br>M V30 53 1 52 53</br>M V30 54 1 53 44</br>M V30 55 2 55 54</br>M V30 56 1 51 56</br>M V30 57 1 54 52</br>M V30 58 2 56 57</br>M V30 59 1 57 55</br>M V30 60 1 49 58</br>M V30 61 1 49 59</br>M V30 62 1 53 60</br>M V30 63 1 50 61</br>M V30 64 1 62 61</br>M V30 65 2 61 63</br>M V30 66 1 25 21</br>M V30 67 1 27 20</br>M V30 68 1 22 45</br>M V30 69 1 19 47</br>M V30 END BOND</br>M V30 BEGIN SGROUP</br>M V30 1 SUP 1 ATOMS=(4 2 3 4 5) BRKXYZ=(9 0.000000 0.000000 0.000000 0.00000-</br>M V30 0 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 0.0-</br>M V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -</br>M V30 LABEL=Bu</br>M V30 2 SUP 2 ATOMS=(4 8 9 10 11) BRKXYZ=(9 0.000000 0.000000 0.000000 0.000-</br>M V30 000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 0-</br>M V30 .000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000-</br>M V30 ) LABEL=Bu</br>M V30 3 SUP 3 ATOMS=(4 7 12 13 14) BRKXYZ=(9 0.000000 0.000000 0.000000 0.00-</br>M V30 0000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 -</br>M V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00000-</br>M V30 0) LABEL=Bu</br>M V30 4 SUP 4 ATOMS=(4 6 15 16 17) BRKXYZ=(9 0.000000 0.000000 0.000000 0.00-</br>M V30 0000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 -</br>M V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00000-</br>M V30 0) LABEL=Bu</br>M V30 5 SUP 5 ATOMS=(3 41 42 43) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0000-</br>M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 0.-</br>M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000)-</br>M V30 LABEL=Ac</br>M V30 6 SUP 6 ATOMS=(3 61 62 63) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0000-</br>M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 0.-</br>M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000)-</br>M V30 LABEL=Ac</br>M V30 END SGROUP</br>M V30 END CTAB</br>M ENDc M V30 END SGROUP M V30 END CTAB M END  
Smiles
[N+](CCCC)(CCCC)(CCCC)CCCC.[Mo-](=O)1(~SC2C3N(C(=O)C)C4C=CC=CC=4N(C)C3OC(C)(C)C=2S~1)1~SC2C3N(C(=O)C)C4C=CC=CC=4N(C)C3OC(C)(C)C=2S~1  +
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>.
15:22:03, 24 January 2023  +
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>.
15:44:04, 14 March 2025  +
Classification properties
Category
Molecule
 
Table 1 +
catContains the molecule used as the catalyst in an experiment or molecular process. ᵖ
 
Retrieved from "https://chemwiki.scc.kit.edu/main/mediawiki/Special:Browse/:Molecule:100661"
Navigation
Powered by MediaWiki
Powered by Semantic MediaWiki