Molecule:100831: Difference between revisions

InChI	1S/C19H20N6.F6P.F5P.FH.Ni/c1-3-16-11-22-7-9-24(13-22)15-25-10-8-23(14-25)12-17-4-2-6-19(21-17)18(5-1)20-16;1-7(2,3,4,5)6;1-6(2,3,4)5;;/h1-10H,11-15H2;;;1H;/q;-1;;;+2/p-1
InChI-Key	RYRGQBUAMFFNTC-UHFFFAOYSA-M
SMILES	C1C=CC2CN3C=CN4CN5C6[Ni+2](C34)3N=2C=1C1N3=C(CN6C=C5)C=CC=1.FP(F)(F)(F)([F-])F.F[P-](F)(F)(F)(F)F

Revision as of 09:39, 14 February 2024

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investigation

@@ Line 3: / Line 3: @@
 |molecularFormula=
 |molecularMass=
-|moleculeKey=QDSMZTKUFVYRKR-UHFFFAOYSA-N
+|moleculeKey=RYRGQBUAMFFNTC-UHFFFAOYSA-M
 |molOrRxn=
-   -INDIGO-11282315212D
+   -INDIGO-02142409382D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 38: / Line 38: @@
 M  V30 26 Ni 6.975 -6.1 0.0 0 CHG=2
 M  V30 27 F 10.392 -5.325 0.0 0
-M  V30 28 P 11.258 -4.825 0.0 0 CHG=-1
+M  V30 28 P 11.258 -4.825 0.0 0
 M  V30 29 F 12.124 -5.325 0.0 0
-M  V30 30 F 11.258 -3.825 0.0 0
+M  V30 30 F 11.258 -3.825 0.0 0 CHG=-1
 M  V30 31 F 10.392 -4.325 0.0 0
 M  V30 32 F 12.124 -4.325 0.0 0
@@ Line 88: / Line 88: @@
 M  V30 34 1 27 28
 M  V30 35 1 28 29
-M  V30 36 1 28 30
+M  V30 36 10 28 30
 M  V30 37 1 28 31
 M  V30 38 1 28 32
@@ Line 101: / Line 101: @@
 M  V30 END CTAB
 M  END
-|smiles=C1C=CC2CN3C=CN4CN5C6[Ni+2](C34)3N=2C=1C1N3=C(CN6C=C5)C=CC=1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
-|inchi=1S/C19H20N6.2F6P.Ni/c1-3-16-11-22-7-9-24(13-22)15-25-10-8-23(14-25)12-17-4-2-6-19(21-17)18(5-1)20-16;2*1-7(2,3,4,5)6;/h1-10H,11-15H2;;;/q;2*-1;+2
+|smiles=C1C=CC2CN3C=CN4CN5C6[Ni+2](C34)3N=2C=1C1N3=C(CN6C=C5)C=CC=1.FP(F)(F)(F)([F-])F.F[P-](F)(F)(F)(F)F
-|inchikey=QDSMZTKUFVYRKR-UHFFFAOYSA-N
+|inchi=1S/C19H20N6.F6P.F5P.FH.Ni/c1-3-16-11-22-7-9-24(13-22)15-25-10-8-23(14-25)12-17-4-2-6-19(21-17)18(5-1)20-16;1-7(2,3,4,5)6;1-6(2,3,4)5;;/h1-10H,11-15H2;;;1H;/q;-1;;;+2/p-1
+|inchikey=RYRGQBUAMFFNTC-UHFFFAOYSA-M
 |width=300px
 |height=200px