Molecule:100968: Difference between revisions
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molecule
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|trivialname= | |trivialname= | ||
|abbrev= | |abbrev= | ||
|molecularFormula= | |molecularFormula= | ||
|molecularMass= | |molecularMass= | ||
|synonyms= | |synonyms= | ||
|hasVendors= | |hasVendors= | ||
|moleculeKey= | |moleculeKey=NIRWJCRVFQKYDZ-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 4.59199 1.175 0.0 0 | |||
M V30 38 C 5.45801 1.675 0.0 0 | |||
M V30 39 F 5.45801 2.675 0.0 0 | |||
M V30 40 F 4.95801 0.808975 0.0 0 | |||
M V30 41 S 6.32404 1.175 0.0 0 | |||
M V30 42 O 7.03115 1.88211 0.0 0 | |||
M V30 43 O 7.32404 1.175 0.0 0 | |||
M V30 44 O 6.32404 0.175 0.0 0 CHG=-1 | |||
M V30 45 F 4.15897 -1.425 0.0 0 | |||
M V30 46 C 5.025 -0.925 0.0 0 | |||
M V30 47 F 5.025 0.075 0.0 0 | |||
M V30 48 F 4.525 -1.79103 0.0 0 | |||
M V30 49 S 5.89103 -1.425 0.0 0 | |||
M V30 50 O 6.59813 -0.717893 0.0 0 | |||
M V30 51 O 6.89103 -1.425 0.0 0 | |||
M V30 52 O 5.89103 -2.425 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[Fe+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 | |||
|smiles=C1C=C2C3C=CC=C4C5C=CC=C6C7(C8C=CC=CN=8[Fe+2](N#CC)(N8C7=CC=CC=8)(N=56)(N=34)N2=CC=1)C | |inchi=1S/C27H21N5.C2H3N.2CHF3O3S.Fe/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 | ||
|inchi=1S/C27H21N5.C2H3N.Fe/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 | |inchikey=NIRWJCRVFQKYDZ-UHFFFAOYSA-L | ||
|inchikey= | |width=200 | ||
|width= | |height=200 | ||
|height= | |||
|float=none | |float=none | ||
|parent= | |parent= | ||
}} | }} | ||
Latest revision as of 11:41, 21 November 2025
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | n/a |
| Molecular formula | n/a |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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Molecule is used on following pages
topic
publication
investigation
Molecule roles
| Investigation type | Catalyst |
|---|---|
| Photocatalytic CO2 conversion experiments |
|
| Cyclic Voltammetry experiments |  |
| Absorption Emission Spectroscopy experiments | |
| Ultraviolett Visuell experiments | |
