Molecule:100660: Difference between revisions

InChI	1S/2C14H16N2OS2.2K.Mo.O/c21-14(2)12(19)11(18)10-13(17-14)16(3)9-7-5-4-6-8(9)15-10;;;;/h24-7,13,18-19H,1-3H3;;;;/q;;2*+1;+2;/p-4
InChI-Key	ZANCFLAGIYSVGM-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.[K+].[K+]

Latest revision as of 11:52, 8 February 2024

‎

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

topic

publication

investigation

@@ Line 1: / Line 1: @@
 {{Molecule
 |abbrev=[K]2[MoO(Hqpdt)2]
-|molecularFormula=C<sub>28</sub>H<sub>32</sub>K<sub>2</sub>MoN<sub>4</sub>O<sub>3</sub>S<sub>4</sub>
+|molecularFormula=
 |moleculeKey=ZANCFLAGIYSVGM-UHFFFAOYSA-J
 |molOrRxn=
-   -INDIGO-01102414392D
+   -INDIGO-01242316062D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 50: / Line 50: @@
 M  V30 39 C 11.2066 -4.48571 0.0 0
 M  V30 40 C 14.3096 -6.85503 0.0 0
-M  V30 41 K 9.875 -8.0 0.0 0 CHG=1
+M  V30 41 K 9.1 -3.425 0.0 0 CHG=1
-M  V30 42 K 8.475 -7.95 0.0 0 CHG=1
+M  V30 42 K 9.125 -3.925 0.0 0 CHG=1
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 104: / Line 104: @@
 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.[K+].[K+]
 |inchi=1S/2C14H16N2OS2.2K.Mo.O/c2*1-14(2)12(19)11(18)10-13(17-14)16(3)9-7-5-4-6-8(9)15-10;;;;/h2*4-7,13,18-19H,1-3H3;;;;/q;;2*+1;+2;/p-4
@@ Line 111: / Line 110: @@
 |height=200px
 |float=none
-|molecularMass=775.968546444
+|molecularMass=
 |trivialname=
 |synonyms=