Molecule:100751: Difference between revisions

Key (SMILES + RGroups)	C([])1C=C2C3N([Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=1)=CC=C([])C=3r1
SMILES	C([])1C=C2C3N([Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=1)=CC=C([])C=3

Revision as of 16:25, 10 January 2024

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No molecules found.

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No molecules found.

publication

Investigation type
Photocatalytic CO2 conversion experiments
Cyclic Voltammetry experiments

@@ Line 8: / Line 8: @@
 |moleculeKey=C([*])1C=C2C3N([Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=1)=CC=C([*])C=3r1
 |molOrRxn=
-   -INDIGO-01102416222D
+   -INDIGO-05052316132D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 27: / Line 27: @@
 M  V30 12 C 5.62882 -7.92503 0.0 0
 M  V30 13 Mn 7.55 -5.475 0.0 0 CHG=1
-M  V30 14 C 8.76603 -4.7 0.0 0 CHG=-1
+M  V30 14 C 8.41603 -4.975 0.0 0 CHG=-1
-M  V30 15 C 8.74103 -6.275 0.0 0 CHG=-1
+M  V30 15 C 8.41603 -5.975 0.0 0 CHG=-1
-M  V30 16 C 7.575 -6.975 0.0 0 CHG=-1
+M  V30 16 C 7.55 -6.475 0.0 0 CHG=-1
-M  V30 17 O 7.575 -7.975 0.0 0 CHG=1
+M  V30 17 O 7.55 -7.475 0.0 0 CHG=1
-M  V30 18 O 9.60705 -6.775 0.0 0 CHG=1
+M  V30 18 O 9.28205 -6.475 0.0 0 CHG=1
-M  V30 19 O 9.63205 -4.2 0.0 0 CHG=1
+M  V30 19 O 9.28205 -4.475 0.0 0 CHG=1
 M  V30 20 R# 3.89382 -2.97507 0.0 0 RGROUPS=(1 1)
 M  V30 21 R# 3.89382 -7.93002 0.0 0 RGROUPS=(1 1)
-M  V30 22 Br 7.55 -3.85 0.0 0 CHG=-1
+M  V30 22 Br 7.525 -3.3 0.0 0 CHG=-1
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 65: / Line 65: @@
 M  V30 END CTAB
 M  END
 |smiles=C([*])1C=C2C3N([Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=1)=CC=C([*])C=3
 |inchi=
-|inchikey=
+|inchikey=C([*])1C=C2C3N([Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=1)=CC=C([*])C=3r1
 |width=300px
 |height=200px