Molecule:100969: Difference between revisions
From ChemWiki
molecule
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|synonyms= | |synonyms= | ||
|hasVendors= | |hasVendors= | ||
|moleculeKey= | |moleculeKey=CSMKCVWSHRTJMD-UHFFFAOYSA-L | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-01102515192D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
M V30 BEGIN CTAB | M V30 BEGIN CTAB | ||
M V30 COUNTS | M V30 COUNTS 52 58 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C -3.23952 -0.911479 0.0 0 | M V30 1 C -3.23952 -0.911479 0.0 0 | ||
| Line 50: | Line 50: | ||
M V30 35 C -0.188361 2.88423 0.0 0 | M V30 35 C -0.188361 2.88423 0.0 0 | ||
M V30 36 C -0.771725 3.46759 0.0 0 | M V30 36 C -0.771725 3.46759 0.0 0 | ||
M V30 37 F 3.45897 1.925 0.0 0 | |||
M V30 38 C 4.325 2.425 0.0 0 | |||
M V30 39 F 4.325 3.425 0.0 0 | |||
M V30 40 F 3.825 1.55897 0.0 0 | |||
M V30 41 S 5.19103 1.925 0.0 0 | |||
M V30 42 O 5.89813 2.63211 0.0 0 | |||
M V30 43 O 6.19103 1.925 0.0 0 | |||
M V30 44 O 5.19103 0.925 0.0 0 CHG=-1 | |||
M V30 45 F 3.85897 -0.575 0.0 0 | |||
M V30 46 C 4.725 -0.075 0.0 0 | |||
M V30 47 F 4.725 0.925 0.0 0 | |||
M V30 48 F 4.225 -0.941025 0.0 0 | |||
M V30 49 S 5.59103 -0.575 0.0 0 | |||
M V30 50 O 6.29813 0.132107 0.0 0 | |||
M V30 51 O 6.59103 -0.575 0.0 0 | |||
M V30 52 O 5.59103 -1.575 0.0 0 CHG=-1 | |||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 96: | Line 112: | ||
M V30 43 1 35 36 | M V30 43 1 35 36 | ||
M V30 44 10 34 19 | M V30 44 10 34 19 | ||
M V30 45 1 37 38 | |||
M V30 46 1 38 39 | |||
M V30 47 1 38 40 | |||
M V30 48 1 38 41 | |||
M V30 49 2 41 42 | |||
M V30 50 2 41 43 | |||
M V30 51 1 41 44 | |||
M V30 52 1 45 46 | |||
M V30 53 1 46 47 | |||
M V30 54 1 46 48 | |||
M V30 55 1 46 49 | |||
M V30 56 2 49 50 | |||
M V30 57 2 49 51 | |||
M V30 58 1 49 52 | |||
M V30 END BOND | M V30 END BOND | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C1C=C2C3C=CC=C4C5C=CC=C6C7(C8C=CC=CN=8[Co+2](N#CC)(N8C7=CC=CC=8)(N=56)(N=34)N2=CC=1)C | |||
|inchi=1S/C27H21N5.C2H3N.Co/c1-27(24-14-3-6-18-29-24,25-15-4-7-19-30-25)26-16-9-13-23(32-26)22-12-8-11-21(31-22)20-10-2-5-17-28-20;1-2-3;/h2-19H,1H3;1H3;/q;;+2 | |smiles=C1C=C2C3C=CC=C4C5C=CC=C6C7(C8C=CC=CN=8[Co+2](N#CC)(N8C7=CC=CC=8)(N=56)(N=34)N2=CC=1)C.FC(S([O-])(=O)=O)(F)F.FC(S([O-])(=O)=O)(F)F | ||
|inchikey= | |inchi=1S/C27H21N5.C2H3N.2CHF3O3S.Co/c1-27(24-14-3-6-18-29-24,25-15-4-7-19-30-25)26-16-9-13-23(32-26)22-12-8-11-21(31-22)20-10-2-5-17-28-20;1-2-3;2*2-1(3,4)8(5,6)7;/h2-19H,1H3;1H3;2*(H,5,6,7);/q;;;;+2/p-2 | ||
|inchikey=CSMKCVWSHRTJMD-UHFFFAOYSA-L | |||
|width=300px | |width=300px | ||
|height=200px | |height=200px | ||
Revision as of 15:20, 10 January 2025
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 515.13834260818 |
| Molecular formula | C29H24CoN6+2 |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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Molecule is used on following pages
publication
investigation
Molecule roles
| Investigation type | Catalyst |
|---|---|
| Photocatalytic CO2 conversion experiments |
|
| Cyclic Voltammetry experiments |  |
| Absorption Emission Spectroscopy experiments | |
