Molecule:100921: Difference between revisions

InChI	InChI=1S/C10H8N2.2CO.2ClH.Ru/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;21-2;;;/h1-8H;;;21H;/q;;;;;+2/p-2
InChI-Key	YFORDIYYTTWPQT-UHFFFAOYSA-L
SMILES	O#C~[Ru]1(~Cl)(~Cl)(~C#O)~N2=C(C=CC=C2)C2=N~1C=CC=C2

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	n/a
Trivialname	n/a
Exact mass	387.931932284
Molecular formula	C12H12Cl2N2O2Ru
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Revision as of 20:22, 26 April 2024

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Belongs to molecule collection: Molecule collection 100481 ‎

Molecule roles

Investigation type
Photocatalytic CO2 conversion experiments
Cyclic Voltammetry experiments

@@ Line 6: / Line 6: @@
 |synonyms=
 |hasVendors=
-|moleculeKey=JSPMRKOJSFMCCQ-UHFFFAOYSA-N
+|moleculeKey=YFORDIYYTTWPQT-UHFFFAOYSA-L
 |molOrRxn=
       RDKit          2D
@@ Line 12: / Line 12: @@
   0  0  0  0  0  0  0  0  0999 V3000
 M  V30 BEGIN CTAB
-M  V30 COUNTS 40 46 0 0 0
+M  V30 COUNTS 19 21 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 5.38881 -2.73729 0 0
+M  V30 1 C 3.05985 -4.92507 0 0
-M  V30 2 C 7.07697 -2.67814 0 0
+M  V30 2 C 4.79015 -4.92459 0 0
-M  V30 3 C 6.25115 -2.22114 0 0
+M  V30 3 C 3.92664 -4.42497 0 0
-M  V30 4 C 7.13295 -3.65745 0 0
+M  V30 4 N 4.79015 -5.92553 0 0
-M  V30 5 C 5.37858 -3.76999 0 0
+M  V30 5 C 3.05985 -5.93002 0 0
-M  V30 6 N 6.21178 -4.13634 0 0
+M  V30 6 C 3.92882 -6.42503 0 0
-M  V30 7 C 2.10446 -5.62372 0 0
+M  V30 7 C 6.75985 -2.90007 0 0
-M  V30 8 C 3.85882 -5.88168 0 0
+M  V30 8 C 8.49015 -2.89959 0 0
-M  V30 9 C 3.04496 -5.26083 0 0
+M  V30 9 C 7.62664 -2.39997 0 0
-M  V30 10 C 3.58074 -6.81095 0 0
+M  V30 10 C 8.49015 -3.90053 0 0
-M  V30 11 C 1.95675 -6.54692 0 0
+M  V30 11 C 6.75985 -3.90502 0 0
-M  V30 12 C 2.66589 -7.13732 0 0
+M  V30 12 N 7.62882 -4.40003 0 0
-M  V30 13 C 4.42124 -7.15888 0 0
+M  V30 13 Ru 6.85 -6.2 0 0
-M  V30 14 C 6.0098 -6.92081 0 0
+M  V30 14 Cl 9.15 -5.55 0 0
-M  V30 15 C 5.13478 -6.52711 0 0
+M  V30 15 Cl 5.675 -7.425 0 0
-M  V30 16 C 6.16761 -7.90701 0 0
+M  V30 16 C 7.10882 -7.16593 0 0
-M  V30 17 C 4.53174 -8.13744 0 0
+M  V30 17 C 7.71603 -6.7 0 0
-M  V30 18 C 5.41924 -8.49086 0 0
+M  V30 18 O 7.62671 -8.02303 0 0
-M  V30 19 C 7.15103 -7.23938 0 0
+M  V30 19 O 8.74102 -6.675 0 0
-M  V30 20 C 8.74951 -7.02308 0 0
-M  V30 21 C 7.75913 -6.6567 0 0
-M  V30 22 C 8.96234 -7.92927 0 0
-M  V30 23 C 7.35381 -8.19045 0 0
-M  V30 24 C 8.2736 -8.51264 0 0
-M  V30 25 C 8.80976 -5.52176 0 0
-M  V30 26 C 10.453 -4.81535 0 0
-M  V30 27 C 9.44454 -4.6927 0 0
-M  V30 28 C 10.8133 -5.68358 0 0
-M  V30 29 C 9.26389 -6.29905 0 0
-M  V30 30 C 10.2906 -6.39016 0 0
-M  V30 31 P 4.9475 -5.58286 0 0
-M  V30 32 P 7.63614 -5.42738 0 0
-M  V30 33 N 4.46086 -4.54219 0 0
-M  V30 34 N 8.04897 -4.27423 0 0
-M  V30 35 Ru 6.24588 -5.12857 0 0
-M  V30 36 Cl 5.78499 -5.97349 0 0
-M  V30 37 C 6.55546 -5.85874 0 0
-M  V30 38 C 6.83931 -4.72558 0 0
-M  V30 39 O 6.86503 -6.58892 0 0
-M  V30 40 O 7.43275 -4.32259 0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 68: / Line 47: @@
 M  V30 11 2 11 12
 M  V30 12 1 12 10
-M  V30 13 2 15 13
+M  V30 13 1 2 11
-M  V30 14 2 16 14
+M  V30 14 8 13 4
-M  V30 15 1 13 17
+M  V30 15 8 13 12
-M  V30 16 1 14 15
+M  V30 16 8 13 15
-M  V30 17 2 17 18
+M  V30 17 8 13 14
-M  V30 18 1 18 16
+M  V30 18 8 13 16
-M  V30 19 2 21 19
+M  V30 19 8 13 17
-M  V30 20 2 22 20
+M  V30 20 3 16 18
-M  V30 21 1 19 23
+M  V30 21 3 17 19
-M  V30 22 1 20 21
-M  V30 23 2 23 24
-M  V30 24 1 24 22
-M  V30 25 2 27 25
-M  V30 26 2 28 26
-M  V30 27 1 25 29
-M  V30 28 1 26 27
-M  V30 29 2 29 30
-M  V30 30 1 30 28
-M  V30 31 1 8 31
-M  V30 32 1 31 15
-M  V30 33 1 32 21
-M  V30 34 1 32 25
-M  V30 35 1 33 5
-M  V30 36 1 33 31
-M  V30 37 1 4 34
-M  V30 38 1 34 32
-M  V30 39 10 31 35
-M  V30 40 10 35 6
-M  V30 41 10 35 32
-M  V30 42 10 35 36
-M  V30 43 10 35 37
-M  V30 44 10 35 38
-M  V30 45 3 37 39
-M  V30 46 3 38 40
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=O#C~[Ru]12(~Cl)(~C#O)~N3=C(C=CC=C3NP~1(C1=CC=CC=C1)C1=CC=CC=C1)NP~2(C1=CC=CC=C1)C1=CC=CC=C1
+|smiles=O#C~[Ru]1(~Cl)(~Cl)(~C#O)~N2=C(C=CC=C2)C2=N~1C=CC=C2
-|inchi=InChI=1S/C29H25N3P2.2CHO.ClH.Ru/c1-5-14-24(15-6-1)33(25-16-7-2-8-17-25)31-28-22-13-23-29(30-28)32-34(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*1-2;;/h1-23H,(H2,30,31,32);2*1H;1H;
+|inchi=InChI=1S/C10H8N2.2CO.2ClH.Ru/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2;;;/h1-8H;;;2*1H;/q;;;;;+2/p-2
-|inchikey=JSPMRKOJSFMCCQ-UHFFFAOYSA-N
+|inchikey=YFORDIYYTTWPQT-UHFFFAOYSA-L
 |width=200
 |height=200

Molecule:100921: Difference between revisions

Revision as of 20:22, 26 April 2024

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