Molecule:100573: Difference between revisions

InChI	InChI=1S/C18H24N2.2CO.2ClH.Ru/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;21-2;;;/h7-12H,1-6H3;;;21H;/q;;;;;+2/p-2
InChI-Key	XUQJAKJUMNDNTK-UHFFFAOYSA-L
SMILES	CC(C)(C)C1=CC2=N(~[Ru](~Cl)(~Cl)(~C#O)(~C#O)~N3=C2C=C(C(C)(C)C)C=C3)C=C1

Revision as of 20:18, 26 April 2024

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@@ Line 1: / Line 1: @@
 {{Molecule
 |abbrev=Ru(dtBubpy)(CO)2Cl2
-|molecularFormula=
+|molecularFormula=C<sub>20</sub>H<sub>28</sub>Cl<sub>2</sub>N<sub>2</sub>O<sub>2</sub>Ru
 |moleculeKey=XUQJAKJUMNDNTK-UHFFFAOYSA-L
 |molOrRxn=
@@ Line 71: / Line 71: @@
 M  V30 END CTAB
 M  END
 |smiles=CC(C)(C)C1=CC2=N(~[Ru](~Cl)(~Cl)(~C#O)(~C#O)~N3=C2C=C(C(C)(C)C)C=C3)C=C1
 |inchi=InChI=1S/C18H24N2.2CO.2ClH.Ru/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-2;;;/h7-12H,1-6H3;;;2*1H;/q;;;;;+2/p-2
 |inchikey=XUQJAKJUMNDNTK-UHFFFAOYSA-L
-|width=300
+|width=200
 |height=200
 |float=none
-|molecularMass=
+|molecularMass=500.057132796
 |trivialname=
 |synonyms=