Molecule:100662: Difference between revisions

InChI	1S/2C16H36N.2C14H16N2OS2.Mo.O/c21-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;21-14(2)12(19)11(18)10-13(17-14)16(3)9-7-5-4-6-8(9)15-10;;/h25-16H2,1-4H3;24-7,13,18-19H,1-3H3;;/q2*+1;;;+2;/p-4
InChI-Key	SZEIOHNZAHLTPQ-UHFFFAOYSA-J
SMILES	[Mo-2](=O)1(~SC2C3=NC4C=CC=CC=4N(C)C3OC(C)(C)C=2S~1)1~SC2C(C)(C)OC3N(C)C4C=CC=CC=4N=C3C=2S~1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC

Revision as of 15:28, 10 January 2024

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 {{Molecule
 |abbrev=[NBu4]2[MoO(qpdt)2]
-|molecularFormula=C<sub>58</sub>H<sub>96</sub>MoN<sub>6</sub>O<sub>3</sub>S<sub>4</sub>
+|molecularFormula=C<sub>60</sub>H<sub>104</sub>MoN<sub>6</sub>O<sub>3</sub>S<sub>4</sub>
 |moleculeKey=SZEIOHNZAHLTPQ-UHFFFAOYSA-J
 |molOrRxn=
@@ Line 168: / Line 168: @@
 M  V30 END CTAB
 M  END
 |smiles=[Mo-2](=O)1(~SC2C3=NC4C=CC=CC=4N(C)C3OC(C)(C)C=2S~1)1~SC2C(C)(C)OC3N(C)C4C=CC=CC=4N=C3C=2S~1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
 |inchi=1S/2C16H36N.2C14H16N2OS2.Mo.O/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-14(2)12(19)11(18)10-13(17-14)16(3)9-7-5-4-6-8(9)15-10;;/h2*5-16H2,1-4H3;2*4-7,13,18-19H,1-3H3;;/q2*+1;;;+2;/p-4
 |inchikey=SZEIOHNZAHLTPQ-UHFFFAOYSA-J
-|width=300px
+|width=200
-|height=200px
+|height=200
 |float=none
-|molecularMass=1150.548083132
+|molecularMass=1182.610683388
 |trivialname=
 |synonyms=