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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Click here to show SMILES and InChI.

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-01102416282D
+     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 18.1598 -3.37507 0.0 0
+M  V30 1 C 4.75985 -3.47507 0 0
-M  V30 2 C 19.8902 -3.37459 0.0 0
+M  V30 2 C 6.49015 -3.47459 0 0
-M  V30 3 C 19.0266 -2.87497 0.0 0
+M  V30 3 C 5.62664 -2.97497 0 0
-M  V30 4 N 19.8902 -4.37553 0.0 0
+M  V30 4 N 6.49015 -4.47553 0 0
-M  V30 5 C 18.1598 -4.38002 0.0 0
+M  V30 5 C 4.75985 -4.48002 0 0
-M  V30 6 C 19.0288 -4.87503 0.0 0
+M  V30 6 C 5.62882 -4.97503 0 0
-M  V30 7 C 19.0327 -5.87503 0.0 0
+M  V30 7 C 4.75985 -6.42507 0 0
-M  V30 8 C 19.905 -7.36933 0.0 0
+M  V30 8 N 6.49015 -6.42459 0 0
-M  V30 9 N 19.9014 -6.3717 0.0 0
+M  V30 9 C 5.62664 -5.92497 0 0
-M  V30 10 C 19.0405 -7.87372 0.0 0
+M  V30 10 C 6.49015 -7.42553 0 0
-M  V30 11 C 18.1647 -6.38143 0.0 0
+M  V30 11 C 4.75985 -7.43002 0 0
-M  V30 12 C 18.175 -7.38146 0.0 0
+M  V30 12 C 5.62882 -7.92503 0 0
-M  V30 13 O 17.2939 -2.87495 0.0 0
+M  V30 13 Mn 7.55 -5.475 0 0 CHG=1
-M  V30 14 C 17.294 -1.87495 0.0 0
+M  V30 14 C 8.41603 -4.975 0 0 CHG=-1
-M  V30 15 O 17.3132 -7.8887 0.0 0
+M  V30 15 C 8.41603 -5.975 0 0 CHG=-1
-M  V30 16 C 16.443 -7.39598 0.0 0
+M  V30 16 C 7.55 -6.475 0 0 CHG=-1
-M  V30 17 Mn 21.3194 -5.12907 0.0 0 CHG=1
+M  V30 17 O 7.55 -7.475 0 0 CHG=1
-M  V30 18 C 22.475 -4.46395 0.0 0 CHG=-1
+M  V30 18 O 9.28205 -6.475 0 0 CHG=1
-M  V30 19 C 22.45 -5.74419 0.0 0 CHG=-1
+M  V30 19 O 9.28205 -4.475 0 0 CHG=1
-M  V30 20 C 21.3444 -6.2843 0.0 0 CHG=-1
+M  V30 20 Br 7.525 -3.3 0 0 CHG=-1
-M  V30 21 O 21.3444 -7.21454 0.0 0 CHG=1
+M  V30 21 O 3.89382 -2.97507 0 0
-M  V30 22 O 23.2556 -6.2093 0.0 0 CHG=1
+M  V30 22 C 3.89382 -1.47507 0 0
-M  V30 23 O 23.2806 -3.99884 0.0 0 CHG=1
+M  V30 23 O 3.89382 -7.93002 0 0
-M  V30 24 Br 21.3194 -3.71046 0.0 0 CHG=-1
+M  V30 24 C 2.59478 -7.18002 0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 2 3 1
+M  V30 1 4 3 1
-M  V30 2 2 4 2
+M  V30 2 4 4 2
-M  V30 3 1 1 5
+M  V30 3 4 1 5
-M  V30 4 1 2 3
+M  V30 4 4 2 3
-M  V30 5 2 5 6
+M  V30 5 4 5 6
-M  V30 6 1 6 4
+M  V30 6 4 6 4
-M  V30 7 1 6 7
+M  V30 7 4 9 7
-M  V30 8 2 9 7
+M  V30 8 4 10 8
-M  V30 9 2 10 8
+M  V30 9 4 7 11
-M  V30 10 1 7 11
+M  V30 10 4 8 9
-M  V30 11 1 8 9
+M  V30 11 4 11 12
-M  V30 12 2 11 12
+M  V30 12 4 12 10
-M  V30 13 1 12 10
+M  V30 13 1 6 9
-M  V30 14 1 1 13
+M  V30 14 10 4 13
-M  V30 15 1 13 14
+M  V30 15 10 8 13
-M  V30 16 1 12 15
+M  V30 16 10 13 14
-M  V30 17 1 15 16
+M  V30 17 10 13 15
-M  V30 18 10 17 18
+M  V30 18 10 13 16
-M  V30 19 10 17 19
+M  V30 19 3 16 17
-M  V30 20 10 17 20
+M  V30 20 3 15 18
-M  V30 21 3 20 21
+M  V30 21 3 14 19
-M  V30 22 3 19 22
+M  V30 22 10 13 20
-M  V30 23 3 18 23
+M  V30 23 1 21 22
-M  V30 24 10 17 24
+M  V30 24 1 1 21
-M  V30 25 10 4 17
+M  V30 25 1 23 24
-M  V30 26 10 17 9
+M  V30 26 1 11 23
 M  V30 END BOND
 M  V30 END CTAB
 M  END
+|smiles=COc1ccn2~[Mn+](~[Br-])(~[C-]#[O+])(~[C-]#[O+])(~[C-]#[O+])~n3ccc(OC)cc3-c2c1
-|smiles=C(OC)1C=C2C3C=C(OC)C=CN=3[Mn+](N2=CC=1)([Br-])([C-]#[O+])([C-]#[O+])[C-]#[O+]
+|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

Current site

Topics