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	C(O)1=C(O)C=C(O)C2C(=O)C3=CC=CC=C3C(=O)C1=2

Properties
CID	6683
CAS	81-54-9
IUPAC-Name	1,2,4-tris(oxidanyl)anthracene-9,10-dione
Abbreviation	purpurin
Trivialname	purpurin
Exact mass	256.03717335
Molecular formula	C14H8O5
LogP	n/a
Has vendors	true
Molecular role	n/a
Synonyms	PURPURIN, 1,2,4-Trihydroxyanthraquinone, Verantin, 1,2,4-trihydroxyanthracene-9,10-dione, Hydroxylizaric acid, Purpurine, Smoke Brown G, 1,2,4-Trihydroxy-9,10-anthracenedione, 1,2,4-Trihydroxy-9,10-anthraquinone, 1,2,4-Trihydroxyanthrachinon

Latest revision as of 14:44, 6 September 2024

‎

purpurin

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Click here to show SMILES and InChI.

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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 6: / Line 6: @@
 |molecularMass=256.03717335
 |molecularFormula=C<sub>14</sub>H<sub>8</sub>O<sub>5</sub>
-|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
+|synonyms=PURPURIN$1,2,4-Trihydroxyanthraquinone$Verantin$1,2,4-trihydroxyanthracene-9,10-dione$Hydroxylizaric acid$Purpurine$Smoke Brown G$1,2,4-Trihydroxy-9,10-anthracenedione$1,2,4-Trihydroxy-9,10-anthraquinone$1,2,4-Trihydroxyanthrachinon
 |cas=81-54-9
 |hasVendors=true
 |moleculeKey=BBNQQADTFFCFGB-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-02152414552D
+   -INDIGO-07072219222D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 17: / Line 17: @@
 M  V30 COUNTS 19 21 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 7.55897 -6.34999 0.0 0
+M  V30 1 C 4.4 -3.94999 0.0 0
-M  V30 2 C 8.42501 -6.84999 0.0 0
+M  V30 2 C 5.26601 -4.44999 0.0 0
-M  V30 3 C 9.29104 -6.35001 0.0 0
+M  V30 3 C 5.26601 -5.45001 0.0 0
-M  V30 4 C 9.29103 -5.35001 0.0 0
+M  V30 4 C 4.4 -5.95001 0.0 0
-M  V30 5 C 8.42499 -4.85001 0.0 0
+M  V30 5 C 3.53399 -5.45001 0.0 0
-M  V30 6 C 7.55896 -5.34999 0.0 0
+M  V30 6 C 3.53399 -4.44999 0.0 0
-M  V30 7 C 6.69531 -6.8479 0.0 0
+M  V30 7 C 6.13206 -3.94996 0.0 0
-M  V30 8 C 5.82894 -6.34805 0.0 0
+M  V30 8 C 6.99811 -4.44995 0.0 0
-M  V30 9 C 6.68913 -4.84814 0.0 0
+M  V30 9 C 6.99811 -5.44996 0.0 0
-M  V30 10 C 5.82673 -5.35308 0.0 0
+M  V30 10 C 6.13206 -5.94999 0.0 0
-M  V30 11 C 10.1547 -4.8521 0.0 0
+M  V30 11 C 7.86417 -3.94992 0.0 0
-M  V30 12 C 11.0211 -5.35195 0.0 0
+M  V30 12 C 8.73022 -4.4499 0.0 0
-M  V30 13 C 10.1609 -6.85186 0.0 0
+M  V30 13 C 8.73022 -5.44992 0.0 0
-M  V30 14 C 11.0233 -6.34692 0.0 0
+M  V30 14 C 7.86417 -5.94995 0.0 0
-M  V30 15 O 8.42499 -3.85001 0.0 0
+M  V30 15 O 6.13204 -2.94996 0.0 0
-M  V30 16 O 8.42501 -7.84999 0.0 0
+M  V30 16 O 6.13208 -6.94999 0.0 0
-M  V30 17 O 10.1547 -3.8521 0.0 0
+M  V30 17 O 4.4 -2.94999 0.0 0
-M  V30 18 O 10.1609 -7.85186 0.0 0
+M  V30 18 O 2.66796 -3.95 0.0 0
-M  V30 19 O 11.8893 -6.84692 0.0 0
+M  V30 19 O 4.4 -6.95001 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 2 1 6
+M  V30 1 1 1 2
-M  V30 2 1 1 2
+M  V30 2 2 2 3
-M  V30 3 1 2 3
+M  V30 3 1 3 4
-M  V30 4 2 3 4
+M  V30 4 2 4 5
-M  V30 5 1 4 5
+M  V30 5 1 5 6
-M  V30 6 1 5 6
+M  V30 6 2 6 1
-M  V30 7 2 8 7
+M  V30 7 1 2 7
-M  V30 8 1 6 9
+M  V30 8 1 7 8
-M  V30 9 1 7 1
+M  V30 9 1 8 9
-M  V30 10 2 9 10
+M  V30 10 1 9 10
-M  V30 11 1 10 8
+M  V30 11 1 10 3
-M  V30 12 2 12 11
+M  V30 12 2 8 11
-M  V30 13 1 3 13
+M  V30 13 1 11 12
-M  V30 14 1 11 4
+M  V30 14 2 12 13
-M  V30 15 2 13 14
+M  V30 15 1 13 14
-M  V30 16 1 14 12
+M  V30 16 2 14 9
-M  V30 17 2 5 15
+M  V30 17 2 7 15
-M  V30 18 2 2 16
+M  V30 18 2 10 16
-M  V30 19 1 11 17
+M  V30 19 1 1 17
-M  V30 20 1 13 18
+M  V30 20 1 6 18
-M  V30 21 1 14 19
+M  V30 21 1 4 19
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=C12C=CC=CC=1C(=O)C1C(O)=CC(O)=C(O)C=1C2=O
+|smiles=C(O)1=C(O)C=C(O)C2C(=O)C3=CC=CC=C3C(=O)C1=2
 |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

Molecule:100499: Difference between revisions

Latest revision as of 14:44, 6 September 2024

Molecule is used on following pages

Current site

Topics