Molecule:100922: Difference between revisions
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molecule
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|synonyms= | |synonyms= | ||
|hasVendors= | |hasVendors= | ||
|moleculeKey= | |moleculeKey=VCFIYXSFEQVEOO-UHFFFAOYSA-M | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO-12162418062D | |||
0 0 0 0 0 0 0 0 0 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
M V30 BEGIN CTAB | M V30 BEGIN CTAB | ||
M V30 COUNTS 42 48 0 0 0 | M V30 COUNTS 42 48 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C 5.38881 -2.73729 0 0 | M V30 1 C 5.38881 -2.73729 0.0 0 | ||
M V30 2 C 7.07697 -2.67814 0 0 | M V30 2 C 7.07697 -2.67814 0.0 0 | ||
M V30 3 C 6.25115 -2.22114 0 0 | M V30 3 C 6.25115 -2.22114 0.0 0 | ||
M V30 4 C 7.13295 -3.65745 0 0 | M V30 4 C 7.13295 -3.65745 0.0 0 | ||
M V30 5 C 5.37858 -3.76999 0 0 | M V30 5 C 5.37858 -3.76999 0.0 0 | ||
M V30 6 N 6.21178 -4.13634 0 0 | M V30 6 N 6.21178 -4.13634 0.0 0 | ||
M V30 7 C 2.10446 -5.62372 0 0 | M V30 7 C 2.10446 -5.62372 0.0 0 | ||
M V30 8 C 3.85882 -5.88168 0 0 | M V30 8 C 3.85882 -5.88168 0.0 0 | ||
M V30 9 C 3.04496 -5.26083 0 0 | M V30 9 C 3.04496 -5.26083 0.0 0 | ||
M V30 10 C 3.58074 -6.81095 0 0 | M V30 10 C 3.58074 -6.81095 0.0 0 | ||
M V30 11 C 1.95675 -6.54692 0 0 | M V30 11 C 1.95675 -6.54692 0.0 0 | ||
M V30 12 C 2.66589 -7.13732 0 0 | M V30 12 C 2.66589 -7.13732 0.0 0 | ||
M V30 13 C 4.42124 -7.15888 0 0 | M V30 13 C 4.42124 -7.15888 0.0 0 | ||
M V30 14 C 6.0098 -6.92081 0 0 | M V30 14 C 6.0098 -6.92081 0.0 0 | ||
M V30 15 C 5.13478 -6.52711 0 0 | M V30 15 C 5.13478 -6.52711 0.0 0 | ||
M V30 16 C 6.16761 -7.90701 0 0 | M V30 16 C 6.16761 -7.90701 0.0 0 | ||
M V30 17 C 4.53174 -8.13744 0 0 | M V30 17 C 4.53174 -8.13744 0.0 0 | ||
M V30 18 C 5.41924 -8.49086 0 0 | M V30 18 C 5.41924 -8.49086 0.0 0 | ||
M V30 19 C 7.15103 -7.23938 0 0 | M V30 19 C 7.15103 -7.23938 0.0 0 | ||
M V30 20 C 8.74951 -7.02308 0 0 | M V30 20 C 8.74951 -7.02308 0.0 0 | ||
M V30 21 C 7.75913 -6.6567 0 0 | M V30 21 C 7.75913 -6.6567 0.0 0 | ||
M V30 22 C 8.96234 -7.92927 0 0 | M V30 22 C 8.96234 -7.92927 0.0 0 | ||
M V30 23 C 7.35381 -8.19045 0 0 | M V30 23 C 7.35381 -8.19045 0.0 0 | ||
M V30 24 C 8.2736 -8.51264 0 0 | M V30 24 C 8.2736 -8.51264 0.0 0 | ||
M V30 25 C 8.80976 -5.52176 0 0 | M V30 25 C 8.80976 -5.52176 0.0 0 | ||
M V30 26 C 10.453 -4.81535 0 0 | M V30 26 C 10.453 -4.81535 0.0 0 | ||
M V30 27 C 9.44454 -4.6927 0 0 | M V30 27 C 9.44454 -4.6927 0.0 0 | ||
M V30 28 C 10.8133 -5.68358 0 0 | M V30 28 C 10.8133 -5.68358 0.0 0 | ||
M V30 29 C 9.26389 -6.29905 0 0 | M V30 29 C 9.26389 -6.29905 0.0 0 | ||
M V30 30 C 10.2906 -6.39016 0 0 | M V30 30 C 10.2906 -6.39016 0.0 0 | ||
M V30 31 P 4.9475 -5.58286 0 0 | M V30 31 P 4.9475 -5.58286 0.0 0 | ||
M V30 32 P 7.63614 -5.42738 0 0 | M V30 32 P 7.63614 -5.42738 0.0 0 | ||
M V30 33 N 4.46086 -4.54219 0 0 | M V30 33 N 4.46086 -4.54219 0.0 0 | ||
M V30 34 N 8.04897 -4.27423 0 0 | M V30 34 N 8.04897 -4.27423 0.0 0 | ||
M V30 35 Ru 6.24588 -5.12857 0 0 | M V30 35 Ru 6.24588 -5.12857 0.0 0 CHG=1 | ||
M V30 36 Cl 5. | M V30 36 Cl 5.63499 -6.22349 0.0 0 CHG=-1 | ||
M V30 37 C 6.55546 -5.85874 0 0 | M V30 37 C 6.55546 -5.85874 0.0 0 | ||
M V30 38 C 6.83931 -4.72558 0 0 | M V30 38 C 6.83931 -4.72558 0.0 0 | ||
M V30 39 O 6.86503 -6.58892 0 0 | M V30 39 O 6.86503 -6.58892 0.0 0 | ||
M V30 40 O 7.43275 -4.32259 0 0 | M V30 40 O 7.43275 -4.32259 0.0 0 | ||
M V30 41 C 9.03294 -3.92915 0 0 | M V30 41 C 9.03294 -3.92915 0.0 0 | ||
M V30 42 C 3.52683 -4.27654 0 0 | M V30 42 C 3.52683 -4.27654 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 110: | Line 110: | ||
M END | M END | ||
|smiles= | |smiles=C1C2N(C)P([Ru+](C#O)(C#O)([Cl-])3P(N(C)C(N=23)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1 | ||
|inchi | |inchi=1S/C31H29N3P2.2CHO.ClH.Ru/c1-33(35(26-16-7-3-8-17-26)27-18-9-4-10-19-27)30-24-15-25-31(32-30)34(2)36(28-20-11-5-12-21-28)29-22-13-6-14-23-29;2*1-2;;/h3-25H,1-2H3;2*1H;1H;/q;;;;+1/p-1 | ||
|inchikey= | |inchikey=VCFIYXSFEQVEOO-UHFFFAOYSA-M | ||
|width=200 | |width=200 | ||
|height=200 | |height=200 | ||
Latest revision as of 18:07, 16 December 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 701.070177504 |
| Molecular formula | C33H32ClN3O2P2Ru |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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Belongs to molecule collection: Molecule collection 100551
