Molecule:100705: Difference between revisions

InChI	1S/C28H28N2.2CO.BrH.Mn/c1-17-13-19(3)27(20(4)14-17)25-11-7-9-23(29-25)24-10-8-12-26(30-24)28-21(5)15-18(2)16-22(28)6;2*1-2;;/h7-16H,1-6H3;;;1H;/q;;;;+1/p-1
InChI-Key	MMWVUSACGPQHBP-UHFFFAOYSA-M
SMILES	C1C=C2C3C=CC=C(C4C(C)=CC(C)=CC=4C)N=3[Mn+]([C-]#[O+])([C-]#[O+])([Br-])N2=C(C2C(C)=CC(C)=CC=2C)C=1

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	Mn(oMesbpy)(CO)2Br
Trivialname	n/a
Exact mass	585.094935432
Molecular formula	C30H31BrMnN2O2
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Revision as of 16:21, 10 January 2024

‎

Mn(oMesbpy)(CO)2Br

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‎

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

@@ Line 3: / Line 3: @@
 |molecularFormula=C<sub>30</sub>H<sub>31</sub>BrMnN<sub>2</sub>O<sub>2</sub>
 |molecularMass=585.094935432
-|moleculeKey=LAJRVYLSNAAJQU-UHFFFAOYSA-M
+|moleculeKey=MMWVUSACGPQHBP-UHFFFAOYSA-M
 |molOrRxn=
-   -INDIGO-03102311002D
+   -INDIGO-01102416202D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 41: / Line 41: @@
 M  V30 29 C 6.47682 -8.98054 0.0 0
 M  V30 30 C 9.93819 -8.97039 0.0 0
-M  V30 31 Mn 7.7 -4.95 0.0 0
+M  V30 31 Mn 9.55 -5.025 0.0 0 CHG=1
-M  V30 32 Br 7.7 -3.95 0.0 0
+M  V30 32 Br 9.55 -3.675 0.0 0 CHG=-1
-M  V30 33 C 8.56603 -4.45 0.0 0
+M  V30 33 C 10.741 -4.3 0.0 0 CHG=-1
-M  V30 34 C 8.56603 -5.45 0.0 0
+M  V30 34 C 10.741 -5.75 0.0 0 CHG=-1
-M  V30 35 O 9.43205 -3.95 0.0 0
+M  V30 35 O 11.607 -3.8 0.0 0 CHG=1
-M  V30 36 O 9.43205 -5.95 0.0 0
+M  V30 36 O 11.607 -6.25 0.0 0 CHG=1
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 84: / Line 84: @@
 M  V30 34 10 4 31
 M  V30 35 10 9 31
-M  V30 36 8 31 32
+M  V30 36 10 31 32
 M  V30 37 10 31 33
 M  V30 38 10 31 34
@@ Line 92: / Line 92: @@
 M  V30 END CTAB
 M  END
-|smiles=C1C=C2C3C=CC=C(C4C(C)=CC(C)=CC=4C)N=3[Mn](C#O)(C#O)(~Br)N2=C(C2C(C)=CC(C)=CC=2C)C=1
-|inchi=1S/C28H28N2.2CHO.BrH.Mn/c1-17-13-19(3)27(20(4)14-17)25-11-7-9-23(29-25)24-10-8-12-26(30-24)28-21(5)15-18(2)16-22(28)6;2*1-2;;/h7-16H,1-6H3;2*1H;1H;/q;;;;+1/p-1
+|smiles=C1C=C2C3C=CC=C(C4C(C)=CC(C)=CC=4C)N=3[Mn+]([C-]#[O+])([C-]#[O+])([Br-])N2=C(C2C(C)=CC(C)=CC=2C)C=1
-|inchikey=LAJRVYLSNAAJQU-UHFFFAOYSA-M
+|inchi=1S/C28H28N2.2CO.BrH.Mn/c1-17-13-19(3)27(20(4)14-17)25-11-7-9-23(29-25)24-10-8-12-26(30-24)28-21(5)15-18(2)16-22(28)6;2*1-2;;/h7-16H,1-6H3;;;1H;/q;;;;+1/p-1
+|inchikey=MMWVUSACGPQHBP-UHFFFAOYSA-M
 |width=300px
 |height=200px

Molecule:100705: Difference between revisions

Revision as of 16:21, 10 January 2024

Molecule is used on following pages

Current site

Topics