Molecule:100875: Difference between revisions

InChI	1S/C18H24N2.C2H3N.3CO.F6P.Mn/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-2-3;3*1-2;1-7(2,3,4,5)6;/h7-12H,1-6H3;1H3;;;;;/q;;;;;-1;+1
InChI-Key	OMERWMHUIAGAOR-UHFFFAOYSA-N
SMILES	C(C(C)(C)C)1C=C2C3C=C(C(C)(C)C)C=CN=3[Mn+]([C-]#[O+])([C-]#[O+])([C-]#[O+])(N#CC)N2=CC=1.[P-](F)(F)(F)(F)(F)F

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	n/a
Trivialname	n/a
Exact mass	451.16621334009
Molecular formula	C23H30MnN3O3+
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Revision as of 15:09, 19 February 2024

‎

[Mn(dtBubpy)(CO)3(MeCN)][PF6]

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

publication

Rhenium(I) trinuclear rings as highly efficient redox photosensitizers for photocatalytic CO2 reduction

investigation

Rhenium(I) trinuclear rings as highly efficient redox photosensitizers for photocatalytic CO2 reduction/Table 2

@@ Line 6: / Line 6: @@
 |synonyms=
 |hasVendors=
-|moleculeKey=YDQFWAPFOLXHHT-UHFFFAOYSA-N
+|moleculeKey=OMERWMHUIAGAOR-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-02192415052D
+   -INDIGO-02192415082D
   0  0  0  0  0  0  0  0  0  0 V3000
 M  V30 BEGIN CTAB
-M  V30 COUNTS 30 32 0 0 0
+M  V30 COUNTS 37 38 0 0 0
 M  V30 BEGIN ATOM
 M  V30 1 C 5.33485 -3.22507 0.0 0
@@ Line 27: / Line 27: @@
 M  V30 12 C 5.34031 -7.22814 0.0 0
 M  V30 13 C 4.46882 -2.72507 0.0 0
-M  V30 14 C 3.5029 -2.98389 0.0 0
+M  V30 14 C 3.6028 -2.22507 0.0 0
-M  V30 15 C 3.6028 -2.22507 0.0 0
+M  V30 15 C 4.47429 -7.72814 0.0 0
-M  V30 16 C 4.21 -1.75915 0.0 0
+M  V30 16 C 3.60826 -8.22814 0.0 0
-M  V30 17 C 4.47429 -7.72814 0.0 0
+M  V30 17 Mn 7.975 -5.2 0.0 0 CHG=1
-M  V30 18 C 3.60826 -8.22814 0.0 0
+M  V30 18 N 7.975 -3.875 0.0 0
-M  V30 19 C 3.50836 -7.46932 0.0 0
+M  V30 19 C 9.29102 -4.45 0.0 0 CHG=-1
-M  V30 20 C 4.21547 -8.69407 0.0 0
+M  V30 20 C 9.26602 -5.9 0.0 0 CHG=-1
-M  V30 21 Mn 7.75 -5.2 0.0 0 CHG=1
+M  V30 21 C 8.00882 -6.39093 0.0 0 CHG=-1
-M  V30 22 N 7.75 -4.2 0.0 0
+M  V30 22 C 7.975 -2.875 0.0 0
-M  V30 23 C 8.61602 -4.7 0.0 0
+M  V30 23 C 7.975 -1.875 0.0 0
-M  V30 24 C 8.61602 -5.7 0.0 0
+M  V30 24 O 10.1571 -3.95 0.0 0 CHG=1
-M  V30 25 C 8.00882 -6.16593 0.0 0
+M  V30 25 O 10.132 -6.4 0.0 0 CHG=1
-M  V30 26 C 7.75 -3.2 0.0 0
+M  V30 26 O 8.00882 -7.39092 0.0 0 CHG=1
-M  V30 27 C 7.75 -2.2 0.0 0
+M  V30 27 C 4.46882 -1.72507 0.0 0
-M  V30 28 O 9.48205 -4.2 0.0 0
+M  V30 28 C 3.60279 -3.22507 0.0 0
-M  V30 29 O 9.48205 -6.2 0.0 0
+M  V30 29 C 3.60826 -7.22814 0.0 0
-M  V30 30 O 8.26764 -7.13185 0.0 0
+M  V30 30 C 4.47429 -8.72814 0.0 0
+M  V30 31 P 12.567 -3.5 0.0 0 CHG=-1
+M  V30 32 F 13.433 -3.0 0.0 0
+M  V30 33 F 11.701 -3.0 0.0 0
+M  V30 34 F 12.567 -4.5 0.0 0
+M  V30 35 F 13.433 -4.0 0.0 0
+M  V30 36 F 12.567 -2.5 0.0 0
+M  V30 37 F 11.701 -4.0 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 61: / Line 68: @@
 M  V30 14 1 1 13
 M  V30 15 1 13 14
-M  V30 16 1 13 15
+M  V30 16 1 12 15
-M  V30 17 1 13 16
+M  V30 17 1 15 16
-M  V30 18 1 12 17
+M  V30 18 10 4 17
-M  V30 19 1 17 18
+M  V30 19 10 9 17
-M  V30 20 1 17 19
+M  V30 20 10 17 18
-M  V30 21 1 17 20
+M  V30 21 10 17 19
-M  V30 22 10 4 21
+M  V30 22 10 17 20
-M  V30 23 10 9 21
+M  V30 23 10 17 21
-M  V30 24 10 21 22
+M  V30 24 3 18 22
-M  V30 25 10 21 23
+M  V30 25 1 22 23
-M  V30 26 10 21 24
+M  V30 26 3 19 24
-M  V30 27 10 21 25
+M  V30 27 3 20 25
-M  V30 28 3 22 26
+M  V30 28 3 21 26
-M  V30 29 1 26 27
+M  V30 29 1 13 27
-M  V30 30 3 23 28
+M  V30 30 1 13 28
-M  V30 31 3 24 29
+M  V30 31 1 15 29
-M  V30 32 3 25 30
+M  V30 32 1 15 30
+M  V30 33 1 31 32
+M  V30 34 1 31 33
+M  V30 35 1 31 34
+M  V30 36 1 31 35
+M  V30 37 1 31 36
+M  V30 38 1 31 37
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=C(C(C)(C)C)1C=C2C3C=C(C(C)(C)C)C=CN=3[Mn+](C#O)(C#O)(C#O)(N#CC)N2=CC=1
+|smiles=C(C(C)(C)C)1C=C2C3C=C(C(C)(C)C)C=CN=3[Mn+]([C-]#[O+])([C-]#[O+])([C-]#[O+])(N#CC)N2=CC=1.[P-](F)(F)(F)(F)(F)F
-|inchi=1S/C18H24N2.C2H3N.3CHO.Mn/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-2-3;3*1-2;/h7-12H,1-6H3;1H3;3*1H;/q;;;;;+1
+|inchi=1S/C18H24N2.C2H3N.3CO.F6P.Mn/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-2-3;3*1-2;1-7(2,3,4,5)6;/h7-12H,1-6H3;1H3;;;;;/q;;;;;-1;+1
-|inchikey=YDQFWAPFOLXHHT-UHFFFAOYSA-N
+|inchikey=OMERWMHUIAGAOR-UHFFFAOYSA-N
 |width=300px
 |height=200px

Molecule:100875: Difference between revisions

Revision as of 15:09, 19 February 2024

Molecule is used on following pages

Current site

Topics