Molecule:100499: Difference between revisions

InChI	1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
InChI-Key	BBNQQADTFFCFGB-UHFFFAOYSA-N
SMILES	C1C=CC2C(=O)C3C(O)=CC(O)=C(O)C=3C(=O)C=2C=1

Properties
CID	6683
CAS	81-54-9
IUPAC-Name	1,2,4-tris(oxidanyl)anthracene-9,10-dione
Abbreviation	n/a
Trivialname	purpurin
Exact mass	256.03717335
Molecular formula	C14H8O5
LogP	n/a
Has vendors	true
Molecular role	n/a
Synonyms	purpurin,124-trihydroxyanthraquinone,verantin,124-trihydroxyanthracene-910-dione,hydroxylizaric acid,purpurine,smoke brown g,124-trihydroxy-910-anthracenedione,124-trihydroxy-910-anthraquinone,124-trihydroxyanthrachinon

Revision as of 11:57, 11 August 2023

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purpurin

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

publication

Promoting photocatalytic CO2 reduction with a molecular copper purpurin chromophore
Highly Efficient and Selective Photocatalytic CO2 Reduction by Iron and Cobalt Quaterpyridine Complexes

investigation

Promoting photocatalytic CO2 reduction with a molecular copper purpurin chromophore/Photocatalytic CO2 reduction: best results
Highly Efficient and Selective Photocatalytic CO2 Reduction by Iron and Cobalt Quaterpyridine Complexes/Optimizations of conditions for Co(qpy)(H2O)2(ClO4)2 and purpurin

other

CO2 conversion to CO

@@ Line 12: / Line 12: @@
 |moleculeKey=BBNQQADTFFCFGB-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-07072219222D
+   -INDIGO-08112312542D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 18: / Line 18: @@
 M  V30 COUNTS 19 21 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 4.4 -3.94999 0.0 0
+M  V30 1 C 5.30985 -5.42507 0.0 0
-M  V30 2 C 5.26601 -4.44999 0.0 0
+M  V30 2 C 7.04015 -5.42459 0.0 0
-M  V30 3 C 5.26601 -5.45001 0.0 0
+M  V30 3 C 6.17664 -4.92497 0.0 0
-M  V30 4 C 4.4 -5.95001 0.0 0
+M  V30 4 C 7.04015 -6.42553 0.0 0
-M  V30 5 C 3.53399 -5.45001 0.0 0
+M  V30 5 C 5.30985 -6.43002 0.0 0
-M  V30 6 C 3.53399 -4.44999 0.0 0
+M  V30 6 C 6.17882 -6.92503 0.0 0
-M  V30 7 C 6.13206 -3.94996 0.0 0
+M  V30 7 C 7.90465 -4.92621 0.0 0
-M  V30 8 C 6.99811 -4.44995 0.0 0
+M  V30 8 C 8.77183 -5.42655 0.0 0
-M  V30 9 C 6.99811 -5.44996 0.0 0
+M  V30 9 C 7.9108 -6.92787 0.0 0
-M  V30 10 C 6.13206 -5.94999 0.0 0
+M  V30 10 C 8.77403 -6.42246 0.0 0
-M  V30 11 C 7.86417 -3.94992 0.0 0
+M  V30 11 C 9.63088 -4.92878 0.0 0
-M  V30 12 C 8.73022 -4.4499 0.0 0
+M  V30 12 C 10.4948 -5.42469 0.0 0
-M  V30 13 C 8.73022 -5.44992 0.0 0
+M  V30 13 C 9.64141 -6.92035 0.0 0
-M  V30 14 C 7.86417 -5.94995 0.0 0
+M  V30 14 C 10.4992 -6.41559 0.0 0
-M  V30 15 O 6.13204 -2.94996 0.0 0
+M  V30 15 O 7.90482 -3.92621 0.0 0
-M  V30 16 O 6.13208 -6.94999 0.0 0
+M  V30 16 O 7.91399 -7.92786 0.0 0
-M  V30 17 O 4.4 -2.94999 0.0 0
+M  V30 17 O 9.62885 -3.92878 0.0 0
-M  V30 18 O 2.66796 -3.95 0.0 0
+M  V30 18 O 11.3591 -4.92169 0.0 0
-M  V30 19 O 4.4 -6.95001 0.0 0
+M  V30 19 O 9.64681 -7.92034 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 1 1 2
+M  V30 1 2 3 1
-M  V30 2 2 2 3
+M  V30 2 2 4 2
-M  V30 3 1 3 4
+M  V30 3 1 1 5
-M  V30 4 2 4 5
+M  V30 4 1 2 3
-M  V30 5 1 5 6
+M  V30 5 2 5 6
-M  V30 6 2 6 1
+M  V30 6 1 6 4
-M  V30 7 1 2 7
+M  V30 7 1 8 7
-M  V30 8 1 7 8
+M  V30 8 1 4 9
-M  V30 9 1 8 9
+M  V30 9 1 7 2
 M  V30 10 1 9 10
-M  V30 11 1 10 3
+M  V30 11 2 10 8
-M  V30 12 2 8 11
+M  V30 12 2 12 11
-M  V30 13 1 11 12
+M  V30 13 1 10 13
-M  V30 14 2 12 13
+M  V30 14 1 11 8
-M  V30 15 1 13 14
+M  V30 15 2 13 14
-M  V30 16 2 14 9
+M  V30 16 1 14 12
 M  V30 17 2 7 15
-M  V30 18 2 10 16
+M  V30 18 2 9 16
-M  V30 19 1 1 17
+M  V30 19 1 11 17
-M  V30 20 1 6 18
+M  V30 20 1 12 18
-M  V30 21 1 4 19
+M  V30 21 1 13 19
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=C(O)1=C(O)C=C(O)C2C(=O)C3=CC=CC=C3C(=O)C1=2
+|smiles=C1C=CC2C(=O)C3C(O)=CC(O)=C(O)C=3C(=O)C=2C=1
 |inchi=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
 |inchikey=BBNQQADTFFCFGB-UHFFFAOYSA-N
 |width=300px
-|height=BBNQQADTFFCFGB-UHFFFAOYSA-N
+|height=200px
 |float=none
 |parent=
 }}

Molecule:100499: Difference between revisions

Revision as of 11:57, 11 August 2023

Molecule is used on following pages

Current site

Topics