Molecule:100845: Difference between revisions

InChI	InChI=1S/C12H12N2O2.3CO.BrH.Mn/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;3*1-2;;/h3-8H,1-2H3;;;;1H;/q;;;;;+1/p-1
InChI-Key	AQJGHJDFPVIJPY-UHFFFAOYSA-M
SMILES	COc1ccn2~[Mn+](~[Br-])(~[C-]#[O+])(~[C-]#[O+])(~[C-]#[O+])~n3ccc(OC)cc3-c2c1

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	n/a
Trivialname	n/a
Exact mass	433.931003684
Molecular formula	C15H12BrMnN2O5
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Latest revision as of 13:06, 18 January 2024

‎

100845

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Belongs to molecule collection: Molecule collection 100751 ‎

Molecule is used on following pages

topic

publication

Highly Efficient and Robust Photocatalytic Systems for CO2 Reduction Consisting of a Cu(I) Photosensitizer and Mn(I) Catalysts

investigation

Highly Efficient and Robust Photocatalytic Systems for CO2 Reduction Consisting of a Cu(I) Photosensitizer and Mn(I) Catalysts/Results for photocatalytic reduction of CO2
Highly Efficient and Robust Photocatalytic Systems for CO2 Reduction Consisting of a Cu(I) Photosensitizer and Mn(I) Catalysts/Durability test

@@ Line 8: / Line 8: @@
 |moleculeKey=AQJGHJDFPVIJPY-UHFFFAOYSA-M
 |molOrRxn=
-  -INDIGO-01102416272D
+     RDKit          2D
-  0  0  0  0  0  0  0  0  0  0 V3000
+  0  0  0  0  0  0  0  0  0999 V3000
 M  V30 BEGIN CTAB
 M  V30 COUNTS 24 26 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 4.2542 -3.40677 0.0 0
+M  V30 1 C 4.75985 -3.47507 0 0
-M  V30 2 C 5.95376 -3.72094 0.0 0
+M  V30 2 C 6.49015 -3.47459 0 0
-M  V30 3 C 5.21796 -3.07162 0.0 0
+M  V30 3 C 5.62664 -2.97497 0 0
-M  V30 4 N 5.72708 -4.67286 0.0 0
+M  V30 4 N 6.49015 -4.47553 0 0
-M  V30 5 C 4.06842 -4.39708 0.0 0
+M  V30 5 C 4.75985 -4.48002 0 0
-M  V30 6 C 4.82852 -4.98972 0.0 0
+M  V30 6 C 5.62882 -4.97503 0 0
-M  V30 7 C 4.06464 -6.52192 0.0 0
+M  V30 7 C 4.75985 -6.42507 0 0
-M  V30 8 N 5.72118 -6.27081 0.0 0
+M  V30 8 N 6.49015 -6.42459 0 0
-M  V30 9 C 4.82345 -5.95062 0.0 0
+M  V30 9 C 5.62664 -5.92497 0 0
-M  V30 10 C 5.9406 -7.19428 0.0 0
+M  V30 10 C 6.49015 -7.42553 0 0
-M  V30 11 C 4.23527 -7.50189 0.0 0
+M  V30 11 C 4.75985 -7.43002 0 0
-M  V30 12 C 5.19499 -7.84704 0.0 0
+M  V30 12 C 5.62882 -7.92503 0 0
-M  V30 13 Mn 6.39513 -5.46483 0.0 0 CHG=1
+M  V30 13 Mn 7.55 -5.475 0 0 CHG=1
-M  V30 14 C 7.32554 -4.99276 0.0 0 CHG=-1
+M  V30 14 C 8.41603 -4.975 0 0 CHG=-1
-M  V30 15 C 7.34053 -5.89201 0.0 0 CHG=-1
+M  V30 15 C 8.41603 -5.975 0 0 CHG=-1
-M  V30 16 C 6.63475 -6.45728 0.0 0 CHG=-1
+M  V30 16 C 7.55 -6.475 0 0 CHG=-1
-M  V30 17 O 6.87438 -7.44973 0.0 0 CHG=1
+M  V30 17 O 7.55 -7.475 0 0 CHG=1
-M  V30 18 O 8.28593 -6.3192 0.0 0 CHG=1
+M  V30 18 O 9.28205 -6.475 0 0 CHG=1
-M  V30 19 O 8.25596 -4.52069 0.0 0 CHG=1
+M  V30 19 O 9.28205 -4.475 0 0 CHG=1
-M  V30 20 Br 6.60984 -4.43491 0.0 0 CHG=-1
+M  V30 20 Br 7.525 -3.3 0 0 CHG=-1
-M  V30 21 O 3.52494 -2.75287 0.0 0
+M  V30 21 O 3.89382 -2.97507 0 0
-M  V30 22 C 3.74247 -1.77568 0.0 0
+M  V30 22 C 3.89382 -1.47507 0 0
-M  V30 23 O 3.48489 -8.11403 0.0 0
+M  V30 23 O 3.89382 -7.93002 0 0
-M  V30 24 C 2.56726 -7.75406 0.0 0
+M  V30 24 C 2.59478 -7.18002 0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 69: / Line 69: @@
 M  V30 END CTAB
 M  END
+|smiles=COc1ccn2~[Mn+](~[Br-])(~[C-]#[O+])(~[C-]#[O+])(~[C-]#[O+])~n3ccc(OC)cc3-c2c1
-|smiles=c(OC)1cc2-c3[n]([Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])[n]2cc1)ccc(OC)c3
+|inchi=InChI=1S/C12H12N2O2.3CO.BrH.Mn/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;3*1-2;;/h3-8H,1-2H3;;;;1H;/q;;;;;+1/p-1
-|inchi=1S/C12H12N2O2.3CO.BrH.Mn/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;3*1-2;;/h3-8H,1-2H3;;;;1H;/q;;;;;+1/p-1
 |inchikey=AQJGHJDFPVIJPY-UHFFFAOYSA-M
 |width=200

Molecule:100845: Difference between revisions

Latest revision as of 13:06, 18 January 2024

Molecule is used on following pages

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