Molecule:100815: Difference between revisions

InChI	1S/C24H54N8.4CHF3O3S.2Ni/c1-19-23(20(2)30-16-12-26-8-5-7-25-11-15-29-19)24-21(3)31-17-13-27-9-6-10-28-14-18-32-22(24)4;42-1(3,4)8(5,6)7;;/h19-32H,5-18H2,1-4H3;4(H,5,6,7);;/q;;;;;2*+2/p-4
InChI-Key	WTJGMZBJEKJYKL-UHFFFAOYSA-J
SMILES	C(C)1C(C2C(C)N3CCN4[Ni+2]33N(CCN3CCC4)C2C)C(C)N2CCN3[Ni+2]22N(CCN12)CCC3.S(=O)(C(F)(F)F)([O-])=O.S(=O)(C(F)(F)F)([O-])=O.S(=O)(C(F)(F)F)([O-])=O.S(=O)(C(F)(F)F)([O-])=O

Revision as of 10:26, 28 November 2023

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publication

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 {{Molecule
-|trivialname=
+|abbrev=[Ni(dMecyclam)]2[TfO]4
-|abbrev=
 |molecularFormula=C<sub>28</sub>H<sub>54</sub>F<sub>12</sub>N<sub>8</sub>Ni<sub>2</sub>O<sub>12</sub>S<sub>4</sub>
 |molecularMass=1166.125927608
-|synonyms=
-|hasVendors=
 |moleculeKey=WTJGMZBJEKJYKL-UHFFFAOYSA-J
-|molOrRxn=
+|molOrRxn=-INDIGO-11282310222D
-  -INDIGO-11282310222D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 154: / Line 150: @@
 M  V30 END CTAB
 M  END
 |smiles=C(C)1C(C2C(C)N3CCN4[Ni+2]33N(CCN3CCC4)C2C)C(C)N2CCN3[Ni+2]22N(CCN12)CCC3.S(=O)(C(F)(F)F)([O-])=O.S(=O)(C(F)(F)F)([O-])=O.S(=O)(C(F)(F)F)([O-])=O.S(=O)(C(F)(F)F)([O-])=O
 |inchi=1S/C24H54N8.4CHF3O3S.2Ni/c1-19-23(20(2)30-16-12-26-8-5-7-25-11-15-29-19)24-21(3)31-17-13-27-9-6-10-28-14-18-32-22(24)4;4*2-1(3,4)8(5,6)7;;/h19-32H,5-18H2,1-4H3;4*(H,5,6,7);;/q;;;;;2*+2/p-4
@@ Line 161: / Line 156: @@
 |height=200px
 |float=none
-|parent=
 }}