Molecule:100824: Difference between revisions

InChI	1S/C14H16N2S2.2C2H3N.2ClHO4.Ni/c1-3-7-15-13(5-1)11-17-9-10-18-12-14-6-2-4-8-16-14;21-2-3;22-1(3,4)5;/h1-8H,9-12H2;21H3;2(H,2,3,4,5);/q;;;;;+2/p-2
InChI-Key	SOBXSEUOEROXNJ-UHFFFAOYSA-L
SMILES	[Ni+2]123(N4C(CS1CCS2CC1=CC=CC=N13)=CC=CC=4)(N#CC)N#CC.O=Cl(=O)([O-])=O.O=Cl(=O)([O-])=O

Revision as of 13:55, 28 November 2023

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@@ Line 1: / Line 1: @@
 {{Molecule
-|trivialname=
+|abbrev=[Ni(bpet)(MeCN)2][ClO4]2
-|abbrev=
 |molecularFormula=C<sub>18</sub>H<sub>22</sub>Cl<sub>2</sub>N<sub>4</sub>NiO<sub>8</sub>S<sub>2</sub>
 |molecularMass=613.960953924
-|synonyms=
-|hasVendors=
 |moleculeKey=SOBXSEUOEROXNJ-UHFFFAOYSA-L
-|molOrRxn=
+|molOrRxn=-INDIGO-11282313532D
-  -INDIGO-11282313532D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 91: / Line 87: @@
 M  V30 END CTAB
 M  END
 |smiles=[Ni+2]123(N4C(CS1CCS2CC1=CC=CC=N13)=CC=CC=4)(N#CC)N#CC.O=Cl(=O)([O-])=O.O=Cl(=O)([O-])=O
 |inchi=1S/C14H16N2S2.2C2H3N.2ClHO4.Ni/c1-3-7-15-13(5-1)11-17-9-10-18-12-14-6-2-4-8-16-14;2*1-2-3;2*2-1(3,4)5;/h1-8H,9-12H2;2*1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2
@@ Line 98: / Line 93: @@
 |height=200px
 |float=none
-|parent=
 }}