Molecule:100551: Difference between revisions

Key (SMILES + RGroups)	C1C2N([])P([Ru+](C#O)(C#O)([Cl-])3P(N([])C(N=23)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1r1
SMILES	C1C2N([])P([Ru+](C#O)(C#O)([Cl-])3P(N([])C(N=23)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1

Latest revision as of 19:10, 16 December 2024

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Molecule	Publication	R1
100922	Photocatalytic CO2 conversion to HCOOH	Me
100921	Photocatalytic CO2 conversion to HCOOH	H

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@@ Line 5: / Line 5: @@
 |molecularFormula=C<sub>31</sub>H<sub>26</sub>*<sub>2</sub>ClN<sub>3</sub>O<sub>2</sub>P<sub>2</sub>Ru
 |hasVendors=
-|moleculeKey=C1C2N([*])P([Ru](C#O)(C#O)(Cl)3P(N([*])C(N=23)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1r1
+|moleculeKey=C1C2N([*])P([Ru+](C#O)(C#O)([Cl-])3P(N([*])C(N=23)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1r1
 |molOrRxn=
-   -INDIGO-10312214122D
+   -INDIGO-12162418092D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 47: / Line 47: @@
 M  V30 33 N 4.46086 -4.54219 0.0 0
 M  V30 34 N 8.04897 -4.27423 0.0 0
-M  V30 35 Ru 6.24588 -5.12857 0.0 0
+M  V30 35 Ru 6.24588 -5.12857 0.0 0 CHG=1
 M  V30 36 R# 9.03294 -3.92915 0.0 0 RGROUPS=(1 1)
 M  V30 37 R# 3.52683 -4.27654 0.0 0 RGROUPS=(1 1)
-M  V30 38 Cl 5.78499 -5.97349 0.0 0
+M  V30 38 Cl 5.78499 -5.97349 0.0 0 CHG=-1
 M  V30 39 C 6.55546 -5.85874 0.0 0
 M  V30 40 C 6.83931 -4.72558 0.0 0
@@ Line 116: / Line 116: @@
 M  V30 END CTAB
 M  END
-|smiles=C1C2N([*])P([Ru](C#O)(C#O)(Cl)3P(N([*])C(N=23)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
+|smiles=C1C2N([*])P([Ru+](C#O)(C#O)([Cl-])3P(N([*])C(N=23)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
 |inchi=
-|inchikey=C1C2N([*])P([Ru](C#O)(C#O)(Cl)3P(N([*])C(N=23)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1r1
+|inchikey=
 |width=300px
 |height=200px