Molecule:100837: Difference between revisions
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molecule
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|moleculeKey=MGJRIOOPVXEIGZ-UHFFFAOYSA-N | |moleculeKey=MGJRIOOPVXEIGZ-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
RDKit 2D | |||
0 0 0 0 0 0 0 0 0 | 0 0 0 0 0 0 0 0 0 0999 V3000 | ||
M V30 BEGIN CTAB | M V30 BEGIN CTAB | ||
M V30 COUNTS 35 39 0 0 0 | M V30 COUNTS 35 39 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 F 8.767 -6.05 | M V30 1 F 8.767 -6.05 0 0 | ||
M V30 2 P 9.633 -5.55 | M V30 2 P 9.633 -5.55 0 0 CHG=-1 | ||
M V30 3 F 10.499 -6.05 | M V30 3 F 10.499 -6.05 0 0 | ||
M V30 4 F 9.633 -4.55 | M V30 4 F 9.633 -4.55 0 0 | ||
M V30 5 F 8.767 -5.05 | M V30 5 F 8.767 -5.05 0 0 | ||
M V30 6 F 10.499 -5.05 | M V30 6 F 10.499 -5.05 0 0 | ||
M V30 7 F 9.633 -6.55 | M V30 7 F 9.633 -6.55 0 0 | ||
M V30 8 C 3.00985 -3.67507 | M V30 8 C 3.00985 -3.67507 0 0 | ||
M V30 9 C 4.74015 -3.67459 | M V30 9 C 4.74015 -3.67459 0 0 | ||
M V30 10 C 3.87664 -3.17497 | M V30 10 C 3.87664 -3.17497 0 0 | ||
M V30 11 N 4.74015 -4.67553 | M V30 11 N 4.74015 -4.67553 0 0 | ||
M V30 12 C 3.00985 -4.68002 | M V30 12 C 3.00985 -4.68002 0 0 | ||
M V30 13 C 3.87882 -5.17503 | M V30 13 C 3.87882 -5.17503 0 0 | ||
M V30 14 C 5.60641 -3.17499 | M V30 14 C 5.60641 -3.17499 0 0 | ||
M V30 15 C 6.47083 -1.67609 | M V30 15 C 6.47083 -1.67609 0 0 | ||
M V30 16 C 5.60649 -2.17428 | M V30 16 C 5.60649 -2.17428 0 0 | ||
M V30 17 C 7.33778 -2.17638 | M V30 17 C 7.33778 -2.17638 0 0 | ||
M V30 18 N 6.47682 -3.67729 | M V30 18 N 6.47682 -3.67729 0 0 | ||
M V30 19 C 7.3399 -3.17207 | M V30 19 C 7.3399 -3.17207 0 0 | ||
M V30 20 C 3.03485 -6.65007 | M V30 20 C 3.03485 -6.65007 0 0 | ||
M V30 21 N 4.76515 -6.64959 | M V30 21 N 4.76515 -6.64959 0 0 | ||
M V30 22 C 3.90164 -6.14997 | M V30 22 C 3.90164 -6.14997 0 0 | ||
M V30 23 C 4.76515 -7.65053 | M V30 23 C 4.76515 -7.65053 0 0 | ||
M V30 24 C 3.03485 -7.65502 | M V30 24 C 3.03485 -7.65502 0 0 | ||
M V30 25 C 3.90382 -8.15003 | M V30 25 C 3.90382 -8.15003 0 0 | ||
M V30 26 C 5.63166 -8.1497 | M V30 26 C 5.63166 -8.1497 0 0 | ||
M V30 27 C 7.36196 -8.14639 | M V30 27 C 7.36196 -8.14639 0 0 | ||
M V30 28 N 6.49763 -7.64818 | M V30 28 N 6.49763 -7.64818 0 0 | ||
M V30 29 C 7.36359 -9.14733 | M V30 29 C 7.36359 -9.14733 0 0 | ||
M V30 30 C 5.6333 -9.15464 | M V30 30 C 5.6333 -9.15464 0 0 | ||
M V30 31 C 6.50308 -9.64824 | M V30 31 C 6.50308 -9.64824 0 0 | ||
M V30 32 Ru 6.48118 -5.65053 | M V30 32 Ru 6.48118 -5.65053 0 0 CHG=2 | ||
M V30 33 Cl 7.4972 -6.22553 | M V30 33 Cl 7.4972 -6.22553 0 0 | ||
M V30 34 C 7.4971 -4.94171 | M V30 34 C 7.4971 -4.94171 0 0 | ||
M V30 35 O 8.93222 -4.50533 | M V30 35 O 8.93222 -4.50533 0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 93: | Line 93: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=F[P-](F)(F)(F)(F)F.OC~[Ru+2]12(~Cl)(~n3ccccc3-c3ccccn~13)~n1ccccc1-c1ccccn~21 | |||
|smiles=F[P-](F)(F)(F)(F)F. | |inchi=InChI=1S/2C10H8N2.CH4O.ClH.F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;;1-7(2,3,4,5)6;/h2*1-8H;2H,1H3;1H;;/q;;;;-1;+2 | ||
|inchi=1S/2C10H8N2.CH4O.ClH.F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;;1-7(2,3,4,5)6;/h2*1-8H;2H,1H3;1H;;/q;;;;-1;+2 | |||
|inchikey=MGJRIOOPVXEIGZ-UHFFFAOYSA-N | |inchikey=MGJRIOOPVXEIGZ-UHFFFAOYSA-N | ||
|width=200 | |width=200 | ||
Revision as of 16:12, 9 January 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 627.00837064209 |
| Molecular formula | C21H21ClF6N4OPRu+ |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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Belongs to molecule collection: Molecule:100836
Molecule is used on following pages
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