Molecule:100573: Difference between revisions

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	C(C(C)(C)C)1C=C2C3C=C(C(C)(C)C)C=CN=3[Ru+2]([Cl-])([Cl-])([C-]#[O+])([C-]#[O+])N2=CC=1

Revision as of 15:12, 19 February 2024

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@@ Line 7: / Line 7: @@
 |moleculeKey=XUQJAKJUMNDNTK-UHFFFAOYSA-L
 |molOrRxn=
-   -INDIGO-02192415062D
+   -INDIGO-01102416342D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 36: / Line 36: @@
 M  V30 22 C 4.56882 -1.77507 0.0 0
 M  V30 23 C 3.7028 -1.27507 0.0 0
-M  V30 24 C 3.70279 -2.27507 0.0 0
+M  V30 24 C 4.06882 -2.6411 0.0 0
-M  V30 25 C 4.56882 -0.77507 0.0 0
+M  V30 25 C 5.06882 -0.909045 0.0 0
-M  V30 26 C 3.70826 -6.27814 0.0 0
+M  V30 26 C 5.07429 -7.64417 0.0 0
-M  V30 27 C 4.57429 -7.77814 0.0 0
+M  V30 27 C 4.07429 -5.91211 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 74: / Line 74: @@
 M  V30 END CTAB
 M  END
 |smiles=C(C(C)(C)C)1C=C2C3C=C(C(C)(C)C)C=CN=3[Ru+2]([Cl-])([Cl-])([C-]#[O+])([C-]#[O+])N2=CC=1
 |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