Molecule:100695: Difference between revisions

InChI	1S/C21H16NP.C15H11N3.C2H3N.2F6P.Ru/c1-3-11-18(12-4-1)23(19-13-5-2-6-14-19)20-15-7-9-17-10-8-16-22-21(17)20;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-3;21-7(2,3,4,5)6;/h1-16H;1-11H;1H3;;;/q;;;2-1;+2
InChI-Key	VHZCMYUABSFYRW-UHFFFAOYSA-N
SMILES	C1C=CC=N2[Ru+2]3(P(C4C=CC=CC=4)(C4C=CC=CC=4)C4=CC=CC5C=CC=N3C=54)3(N4=C(C5N3=CC=CC=5)C=CC=C4C=12)N#CC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Revision as of 15:57, 16 February 2024

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@@ Line 3: / Line 3: @@
 |moleculeKey=VHZCMYUABSFYRW-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-01102416172D
+   -INDIGO-02162415562D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 139: / Line 139: @@
 M  V30 END CTAB
 M  END
 |smiles=C1C=CC=N2[Ru+2]3(P(C4C=CC=CC=4)(C4C=CC=CC=4)C4=CC=CC5C=CC=N3C=54)3(N4=C(C5N3=CC=CC=5)C=CC=C4C=12)N#CC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
 |inchi=1S/C21H16NP.C15H11N3.C2H3N.2F6P.Ru/c1-3-11-18(12-4-1)23(19-13-5-2-6-14-19)20-15-7-9-17-10-8-16-22-21(17)20;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-3;2*1-7(2,3,4,5)6;/h1-16H;1-11H;1H3;;;/q;;;2*-1;+2