Molecule:100845: Difference between revisions
From ChemWiki
molecule
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(auto-generated) Tag: Reverted |
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|moleculeKey=AQJGHJDFPVIJPY-UHFFFAOYSA-M | |moleculeKey=AQJGHJDFPVIJPY-UHFFFAOYSA-M | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO-01102416272D | |||
0 0 0 0 0 0 0 0 0 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
M V30 BEGIN CTAB | M V30 BEGIN CTAB | ||
M V30 COUNTS 24 26 0 0 0 | M V30 COUNTS 24 26 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C 4. | M V30 1 C 4.2542 -3.40677 0.0 0 | ||
M V30 2 C | M V30 2 C 5.95376 -3.72094 0.0 0 | ||
M V30 3 C 5. | M V30 3 C 5.21796 -3.07162 0.0 0 | ||
M V30 4 N | M V30 4 N 5.72708 -4.67286 0.0 0 | ||
M V30 5 C 4. | M V30 5 C 4.06842 -4.39708 0.0 0 | ||
M V30 6 C | M V30 6 C 4.82852 -4.98972 0.0 0 | ||
M V30 7 C 4. | M V30 7 C 4.06464 -6.52192 0.0 0 | ||
M V30 8 N | M V30 8 N 5.72118 -6.27081 0.0 0 | ||
M V30 9 C | M V30 9 C 4.82345 -5.95062 0.0 0 | ||
M V30 10 C | M V30 10 C 5.9406 -7.19428 0.0 0 | ||
M V30 11 C 4. | M V30 11 C 4.23527 -7.50189 0.0 0 | ||
M V30 12 C 5. | M V30 12 C 5.19499 -7.84704 0.0 0 | ||
M V30 13 Mn | M V30 13 Mn 6.39513 -5.46483 0.0 0 CHG=1 | ||
M V30 14 C | M V30 14 C 7.32554 -4.99276 0.0 0 CHG=-1 | ||
M V30 15 C | M V30 15 C 7.34053 -5.89201 0.0 0 CHG=-1 | ||
M V30 16 C | M V30 16 C 6.63475 -6.45728 0.0 0 CHG=-1 | ||
M V30 17 O | M V30 17 O 6.87438 -7.44973 0.0 0 CHG=1 | ||
M V30 18 O | M V30 18 O 8.28593 -6.3192 0.0 0 CHG=1 | ||
M V30 19 O | M V30 19 O 8.25596 -4.52069 0.0 0 CHG=1 | ||
M V30 20 Br | M V30 20 Br 6.60984 -4.43491 0.0 0 CHG=-1 | ||
M V30 21 O 3. | M V30 21 O 3.52494 -2.75287 0.0 0 | ||
M V30 22 C 3. | M V30 22 C 3.74247 -1.77568 0.0 0 | ||
M V30 23 O 3. | M V30 23 O 3.48489 -8.11403 0.0 0 | ||
M V30 24 C 2. | M V30 24 C 2.56726 -7.75406 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 69: | Line 69: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles= | |||
|inchi | |smiles=c(OC)1cc2-c3[n]([Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])[n]2cc1)ccc(OC)c3 | ||
|inchi=1S/C12H12N2O2.3CO.BrH.Mn/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;3*1-2;;/h3-8H,1-2H3;;;;1H;/q;;;;;+1/p-1 | |||
|inchikey=AQJGHJDFPVIJPY-UHFFFAOYSA-M | |inchikey=AQJGHJDFPVIJPY-UHFFFAOYSA-M | ||
|width=200 | |width=200 | ||
Revision as of 16:28, 10 January 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 433.931003684 |
| Molecular formula | C15H12BrMnN2O5 |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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Belongs to molecule collection: Molecule collection 100751
Molecule is used on following pages
topic
publication
investigation
- Highly Efficient and Robust Photocatalytic Systems for CO2 Reduction Consisting of a Cu(I) Photosensitizer and Mn(I) Catalysts/Results for photocatalytic reduction of CO2
- Highly Efficient and Robust Photocatalytic Systems for CO2 Reduction Consisting of a Cu(I) Photosensitizer and Mn(I) Catalysts/Durability test
