Molecule:100781: Difference between revisions
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molecule
(auto-generated) Tag: Reverted |
(auto-generated) Tag: Manual revert |
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|moleculeKey=NZCMNMSVXYOMGS-UHFFFAOYSA-N | |moleculeKey=NZCMNMSVXYOMGS-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-07282314582D | ||
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 24: | Line 24: | ||
M V30 12 C 4.67497 -7.35646 0.0 0 | M V30 12 C 4.67497 -7.35646 0.0 0 | ||
M V30 13 Re 7.38118 -5.25053 0.0 0 CHG=1 | M V30 13 Re 7.38118 -5.25053 0.0 0 CHG=1 | ||
M V30 14 N 7.38118 - | M V30 14 N 7.38118 -4.25053 0.0 0 | ||
M V30 15 C 8. | M V30 15 C 8.2472 -4.75053 0.0 0 CHG=-1 | ||
M V30 16 C 8. | M V30 16 C 8.2472 -5.75053 0.0 0 CHG=-1 | ||
M V30 17 C 7.38118 -6. | M V30 17 C 7.38118 -6.25053 0.0 0 CHG=-1 | ||
M V30 18 O 9. | M V30 18 O 9.11323 -4.25053 0.0 0 CHG=1 | ||
M V30 19 O 9. | M V30 19 O 9.11323 -6.25053 0.0 0 CHG=1 | ||
M V30 20 O 7.38118 -7. | M V30 20 O 7.38118 -7.25053 0.0 0 CHG=1 | ||
M V30 21 C 7.38118 - | M V30 21 C 7.38118 -3.25053 0.0 0 | ||
M V30 22 C 7.38118 - | M V30 22 C 7.38118 -2.25053 0.0 0 | ||
M V30 23 P 11. | M V30 23 P 11.717 -3.475 0.0 0 CHG=-1 | ||
M V30 24 F 12. | M V30 24 F 12.583 -2.975 0.0 0 | ||
M V30 25 F | M V30 25 F 10.851 -2.975 0.0 0 | ||
M V30 26 F 11. | M V30 26 F 11.717 -4.475 0.0 0 | ||
M V30 27 F 12. | M V30 27 F 12.583 -3.975 0.0 0 | ||
M V30 28 F 11. | M V30 28 F 11.717 -2.475 0.0 0 | ||
M V30 29 F | M V30 29 F 10.851 -3.975 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 75: | Line 75: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C1C=C2C3C=CC=CN=3[Re+]([C-]#[O+])([C-]#[O+])([C-]#[O+])(N#CC)N2=CC=1.[P-](F)(F)(F)(F)(F)F | |smiles=C1C=C2C3C=CC=CN=3[Re+]([C-]#[O+])([C-]#[O+])([C-]#[O+])(N#CC)N2=CC=1.[P-](F)(F)(F)(F)(F)F | ||
|inchi=1S/C10H8N2.C2H3N.3CO.F6P.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-3;3*1-2;1-7(2,3,4,5)6;/h1-8H;1H3;;;;;/q;;;;;-1;+1 | |inchi=1S/C10H8N2.C2H3N.3CO.F6P.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-3;3*1-2;1-7(2,3,4,5)6;/h1-8H;1H3;;;;;/q;;;;;-1;+1 | ||
Revision as of 10:25, 23 January 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | [Re(bpy)(CO)3(MeCN)][PF6] |
| Trivialname | n/a |
| Exact mass | 612.999975262 |
| Molecular formula | C15H11F6N3O3PRe |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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