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

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	[MoO(qpdt)2][NBu4]2
Trivialname	n/a
Exact mass	n/a
Molecular formula	n/a
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Latest revision as of 11:52, 8 February 2024

‎

[MoO(qpdt)2][NBu4]2

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

publication

Pyranopterin Related Dithiolene Molybdenum Complexes as Homogeneous Catalysts for CO2 Photoreduction

investigation

Pyranopterin Related Dithiolene Molybdenum Complexes as Homogeneous Catalysts for CO2 Photoreduction/Table 1

@@ Line 1: / Line 1: @@
 {{Molecule
-|abbrev=[NBu4]2[MoO(qpdt)2]
+|abbrev=[MoO(qpdt)2][NBu4]2
-|molecularFormula=C<sub>60</sub>H<sub>104</sub>MoN<sub>6</sub>O<sub>3</sub>S<sub>4</sub>
+|molecularFormula=
 |moleculeKey=SZEIOHNZAHLTPQ-UHFFFAOYSA-J
 |molOrRxn=
-   -INDIGO-01102415282D
+   -INDIGO-01102415272D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 50: / Line 50: @@
 M  V30 39 C 13.925 -6.27355 0.0 0
 M  V30 40 C 3.40218 -5.32419 0.0 0
-M  V30 41 N 15.65 -1.5 0.0 0 CHG=1
+M  V30 41 N 16.475 -1.4 0.0 0 CHG=1
-M  V30 42 C 15.65 -0.5 0.0 0
+M  V30 42 C 16.475 -0.4 0.0 0
-M  V30 43 C 14.65 -1.5 0.0 0
+M  V30 43 C 15.475 -1.4 0.0 0
-M  V30 44 C 16.65 -1.5 0.0 0
+M  V30 44 C 17.475 -1.4 0.0 0
-M  V30 45 C 15.65 -2.5 0.0 0
+M  V30 45 C 16.475 -2.4 0.0 0
-M  V30 46 C 16.516 0.0 0.0 0
+M  V30 46 C 17.341 0.1 0.0 0
-M  V30 47 C 16.516 1.0 0.0 0
+M  V30 47 C 17.341 1.1 0.0 0
-M  V30 48 C 17.3821 1.5 0.0 0
+M  V30 48 C 18.2071 1.6 0.0 0
-M  V30 49 C 17.15 -2.36603 0.0 0
+M  V30 49 C 17.975 -2.26603 0.0 0
-M  V30 50 C 18.15 -2.36603 0.0 0
+M  V30 50 C 18.975 -2.26603 0.0 0
-M  V30 51 C 18.65 -3.23205 0.0 0
+M  V30 51 C 19.475 -3.13205 0.0 0
-M  V30 52 C 14.784 -3.0 0.0 0
+M  V30 52 C 15.609 -2.9 0.0 0
-M  V30 53 C 14.784 -4.0 0.0 0
+M  V30 53 C 15.609 -3.9 0.0 0
-M  V30 54 C 13.9179 -4.5 0.0 0
+M  V30 54 C 14.7429 -4.4 0.0 0
-M  V30 55 C 14.15 -0.633975 0.0 0
+M  V30 55 C 14.975 -0.533975 0.0 0
-M  V30 56 C 13.15 -0.633975 0.0 0
+M  V30 56 C 13.975 -0.533975 0.0 0
-M  V30 57 C 12.65 0.232051 0.0 0
+M  V30 57 C 13.475 0.332051 0.0 0
-M  V30 58 N 8.5 0.2 0.0 0 CHG=1
+M  V30 58 N 19.4 -6.95 0.0 0 CHG=1
-M  V30 59 C 8.5 1.2 0.0 0
+M  V30 59 C 19.4 -5.95 0.0 0
-M  V30 60 C 7.5 0.2 0.0 0
+M  V30 60 C 18.4 -6.95 0.0 0
-M  V30 61 C 9.5 0.2 0.0 0
+M  V30 61 C 20.4 -6.95 0.0 0
-M  V30 62 C 8.5 -0.8 0.0 0
+M  V30 62 C 19.4 -7.95 0.0 0
-M  V30 63 C 9.366 1.7 0.0 0
+M  V30 63 C 20.266 -5.45 0.0 0
-M  V30 64 C 9.366 2.7 0.0 0
+M  V30 64 C 20.266 -4.45 0.0 0
-M  V30 65 C 10.2321 3.2 0.0 0
+M  V30 65 C 21.1321 -3.95 0.0 0
-M  V30 66 C 10.0 -0.66603 0.0 0
+M  V30 66 C 20.9 -7.81603 0.0 0
-M  V30 67 C 11.0 -0.66603 0.0 0
+M  V30 67 C 21.9 -7.81603 0.0 0
-M  V30 68 C 11.5 -1.53205 0.0 0
+M  V30 68 C 22.4 -8.68205 0.0 0
-M  V30 69 C 7.634 -1.3 0.0 0
+M  V30 69 C 18.534 -8.45 0.0 0
-M  V30 70 C 7.634 -2.3 0.0 0
+M  V30 70 C 18.534 -9.45 0.0 0
-M  V30 71 C 6.7679 -2.8 0.0 0
+M  V30 71 C 17.6679 -9.95 0.0 0
-M  V30 72 C 7 1.06603 0.0 0
+M  V30 72 C 17.9 -6.08397 0.0 0
-M  V30 73 C 6 1.06603 0.0 0
+M  V30 73 C 16.9 -6.08397 0.0 0
-M  V30 74 C 5.5 1.93205 0.0 0
+M  V30 74 C 16.4 -5.21795 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ 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
@@ Line 175: / Line 174: @@
 |height=200
 |float=none
-|molecularMass=1182.610683388
+|molecularMass=
 |trivialname=
 |synonyms=

Molecule:100662: Difference between revisions

Latest revision as of 11:52, 8 February 2024

Molecule is used on following pages

Current site

Topics