Molecule:100662: Difference between revisions
From ChemWiki
molecule
(auto-generated) |
(auto-generated) |
||
| Line 4: | Line 4: | ||
|moleculeKey=SZEIOHNZAHLTPQ-UHFFFAOYSA-J | |moleculeKey=SZEIOHNZAHLTPQ-UHFFFAOYSA-J | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-01102415282D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
| Line 50: | Line 50: | ||
M V30 39 C 13.925 -6.27355 0.0 0 | M V30 39 C 13.925 -6.27355 0.0 0 | ||
M V30 40 C 3.40218 -5.32419 0.0 0 | M V30 40 C 3.40218 -5.32419 0.0 0 | ||
M V30 41 N | M V30 41 N 15.65 -1.5 0.0 0 CHG=1 | ||
M V30 42 C | M V30 42 C 15.65 -0.5 0.0 0 | ||
M V30 43 C | M V30 43 C 14.65 -1.5 0.0 0 | ||
M V30 44 C | M V30 44 C 16.65 -1.5 0.0 0 | ||
M V30 45 C | M V30 45 C 15.65 -2.5 0.0 0 | ||
M V30 46 C | M V30 46 C 16.516 0.0 0.0 0 | ||
M V30 47 C | M V30 47 C 16.516 1.0 0.0 0 | ||
M V30 48 C | M V30 48 C 17.3821 1.5 0.0 0 | ||
M V30 49 C 17. | M V30 49 C 17.15 -2.36603 0.0 0 | ||
M V30 50 C 18. | M V30 50 C 18.15 -2.36603 0.0 0 | ||
M V30 51 C | M V30 51 C 18.65 -3.23205 0.0 0 | ||
M V30 52 C | M V30 52 C 14.784 -3.0 0.0 0 | ||
M V30 53 C | M V30 53 C 14.784 -4.0 0.0 0 | ||
M V30 54 C | M V30 54 C 13.9179 -4.5 0.0 0 | ||
M V30 55 C 14. | M V30 55 C 14.15 -0.633975 0.0 0 | ||
M V30 56 C 13. | M V30 56 C 13.15 -0.633975 0.0 0 | ||
M V30 57 C | M V30 57 C 12.65 0.232051 0.0 0 | ||
M V30 58 N | M V30 58 N 8.5 0.2 0.0 0 CHG=1 | ||
M V30 59 C | M V30 59 C 8.5 1.2 0.0 0 | ||
M V30 60 C | M V30 60 C 7.5 0.2 0.0 0 | ||
M V30 61 C | M V30 61 C 9.5 0.2 0.0 0 | ||
M V30 62 C | M V30 62 C 8.5 -0.8 0.0 0 | ||
M V30 63 C | M V30 63 C 9.366 1.7 0.0 0 | ||
M V30 64 C | M V30 64 C 9.366 2.7 0.0 0 | ||
M V30 65 C | M V30 65 C 10.2321 3.2 0.0 0 | ||
M V30 66 C | M V30 66 C 10.0 -0.66603 0.0 0 | ||
M V30 67 C | M V30 67 C 11.0 -0.66603 0.0 0 | ||
M V30 68 C | M V30 68 C 11.5 -1.53205 0.0 0 | ||
M V30 69 C | M V30 69 C 7.634 -1.3 0.0 0 | ||
M V30 70 C | M V30 70 C 7.634 -2.3 0.0 0 | ||
M V30 71 C | M V30 71 C 6.7679 -2.8 0.0 0 | ||
M V30 72 C | M V30 72 C 7 1.06603 0.0 0 | ||
M V30 73 C | M V30 73 C 6 1.06603 0.0 0 | ||
M V30 74 C | M V30 74 C 5.5 1.93205 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 168: | Line 168: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=[Mo-2](=O)1(~SC2C3=NC4C=CC=CC=4N(C)C3OC(C)(C)C=2S~1)1~SC2C(C)(C)OC3N(C)C4C=CC=CC=4N=C3C=2S~1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC | |smiles=[Mo-2](=O)1(~SC2C3=NC4C=CC=CC=4N(C)C3OC(C)(C)C=2S~1)1~SC2C(C)(C)OC3N(C)C4C=CC=CC=4N=C3C=2S~1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC | ||
|inchi=1S/2C16H36N.2C14H16N2OS2.Mo.O/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-14(2)12(19)11(18)10-13(17-14)16(3)9-7-5-4-6-8(9)15-10;;/h2*5-16H2,1-4H3;2*4-7,13,18-19H,1-3H3;;/q2*+1;;;+2;/p-4 | |inchi=1S/2C16H36N.2C14H16N2OS2.Mo.O/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-14(2)12(19)11(18)10-13(17-14)16(3)9-7-5-4-6-8(9)15-10;;/h2*5-16H2,1-4H3;2*4-7,13,18-19H,1-3H3;;/q2*+1;;;+2;/p-4 | ||
Revision as of 16:29, 10 January 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | [NBu4]2[MoO(qpdt)2] |
| Trivialname | n/a |
| Exact mass | 1182.610683388 |
| Molecular formula | C60H104MoN6O3S4 |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
Click here to copy MOL-file.
Click here to show SMILES and InChI.
Molecule is used on following pages
topic
- Photocatalytic CO2 conversion to CO
- Homogeneous photocatalytic CO2 conversion
- Photocatalytic CO2 conversion to HCOOH
publication
- Pyranopterin Related Dithiolene Molybdenum Complexes as Homogeneous Catalysts for CO2 Photoreduction
investigation
Molecule roles
| Investigation type | Catalyst |
|---|---|
| Photocatalytic CO2 conversion experiments |
|
| Cyclic Voltammetry experiments |  |
| Absorption Emission Spectroscopy experiments | |
