Molecule:100717: Difference between revisions

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molecule
(auto-generated)
(auto-generated)
Line 3: Line 3:
|molecularFormula=C<sub>14</sub>H<sub>12</sub>MnN<sub>3</sub>O<sub>3</sub>
|molecularFormula=C<sub>14</sub>H<sub>12</sub>MnN<sub>3</sub>O<sub>3</sub>
|molecularMass=325.025911344
|molecularMass=325.025911344
|moleculeKey=UTEWKQPZQFNRSL-UHFFFAOYSA-N
|moleculeKey=PZMFAIZJHXCGTO-UHFFFAOYSA-N
|molOrRxn=
|molOrRxn=
   -INDIGO-03292312002D
   -INDIGO-01102416302D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
Line 23: Line 23:
M  V30 11 C 3.73771 -6.35308 0.0 0
M  V30 11 C 3.73771 -6.35308 0.0 0
M  V30 12 C 3.74417 -7.35314 0.0 0
M  V30 12 C 3.74417 -7.35314 0.0 0
M  V30 13 Mn 6.4 -5.375 0.0 0
M  V30 13 Mn 6.4 -5.375 0.0 0 CHG=1
M  V30 14 C 6.4 -4.375 0.0 0
M  V30 14 C 6.4 -4.375 0.0 0 CHG=-1
M  V30 15 C 7.10711 -4.66789 0.0 0
M  V30 15 C 7.10711 -4.66789 0.0 0 CHG=-1
M  V30 16 C 7.26603 -5.875 0.0 0
M  V30 16 C 7.26603 -5.875 0.0 0 CHG=-1
M  V30 17 C 6.4 -6.375 0.0 0
M  V30 17 C 6.4 -6.375 0.0 0 CHG=-1
M  V30 18 O 6.4 -3.375 0.0 0
M  V30 18 O 6.4 -3.375 0.0 0 CHG=1
M  V30 19 O 7.81421 -3.96079 0.0 0
M  V30 19 O 7.81421 -3.96079 0.0 0 CHG=1
M  V30 20 O 8.13205 -6.375 0.0 0
M  V30 20 O 8.13205 -6.375 0.0 0 CHG=1
M  V30 21 N 6.4 -7.375 0.0 0
M  V30 21 N 6.4 -7.375 0.0 0
M  V30 END ATOM
M  V30 END ATOM
Line 60: Line 60:
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
|smiles=C1C=C2C3C=CC=CN=3[Mn](C#N)(C#O)(C#O)(C#O)N2=CC=1
 
|inchi=1S/C10H8N2.CHN.3CHO.Mn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2;/h1-8H;4*1H;
|smiles=C1C=C2C3C=CC=CN=3[Mn+]([C-]#N)([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=1
|inchikey=UTEWKQPZQFNRSL-UHFFFAOYSA-N
|inchi=1S/C10H8N2.CN.3CO.Mn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2;/h1-8H;;;;;/q;-1;;;;+1
|inchikey=PZMFAIZJHXCGTO-UHFFFAOYSA-N
|width=300px
|width=300px
|height=200px
|height=200px

Revision as of 16:31, 10 January 2024

Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation Mn(CN)(bpy)(CO)3
Trivialname n/a
Exact mass 325.025911344
Molecular formula C14H12MnN3O3
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a

Mn(CN)(bpy)(CO)3


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