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

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purpurin

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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 1: / Line 1: @@
 {{Molecule
 |abbrev=purpurin
-|trivialname=PURPURIN
+|trivialname=purpurin
 |cid=6683
 |iupacName=1,2,4-tris(oxidanyl)anthracene-9,10-dione
 |molecularMass=256.03717335
 |molecularFormula=C<sub>14</sub>H<sub>8</sub>O<sub>5</sub>
-|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$1,2,4-Trihydroxyanthrachinon$C.I. 58205$9,10-Anthracenedione, 1,2,4-trihydroxy-$1,2,4-Trihydroxyanthra-9,10-quinone$Anthraquinone, 1,2,4-trihydroxy-$UNII-L1GT81LS6N$C.I. 75410$CHEBI:8645$C.I. 1037$L1GT81LS6N$MLS002473304$1,2,4-Trihydroxy-Anthraquinone$NSC10447$SMR001306802$1,2,4-trihydroxy-9,10-dihydroanthracene-9,10-dione$purpurin, madder root$CCRIS 3527$EINECS 201-359-8$NSC 10447$1,2,4-Trihydroxyanthrachinon [Czech]$BRN 1887127$Madder purple$Alizarin purpurin$Oxylizarinic acid$Purpurin (C.I. 58205)$4-Hydroxyalizarin$9TF$MFCD00001203$C.I. Natural Red 8$Purpurin (85per cent)$Spectrum2_000037$Spectrum3_001947$C.I. Natural Red 16$DSSTox_CID_1214$1,4-Trihydroxyanthrachinon$Epitope ID:116185$NCIMech_000036$1,4-Trihydroxyanthraquinone$cid_6683$9, 1,2,4-trihydroxy-$DSSTox_RID_76013$DSSTox_GSID_21214$SCHEMBL33871$BSPBio_003547$4-08-00-03568 (Beilstein Handbook Reference)$hsp90_173$MLS002207287$SPECTRUM1505300$Purpurin, Dye content 90 %$SPBio_000133$Anthraquinone,2,4-trihydroxy-$CHEMBL294264$DTXSID4021214$BDBM67454$KBio3_002835$HMS2232F04$HMS3374D11$HY-N0571$ZINC3861633$Tox21_301526$1,4-Trihydroxy-9,10-anthraquinone$CCG-35463$NSC-10447$s4963$STK396669$AKOS001482720$1,2,4-Trihydroxy-9,10-anthrachinon$4,9,10-trihydroxy-1,2-anthraquinone$SDCCGMLS-0066870.P001$CAS-81-54-9$NCGC00095346-01$NCGC00095346-02$NCGC00095346-03$NCGC00255399-01$WLN: L C666 BV IVJ DQ EQ GQ$AC-34603$AS-63166$NCI60_000107$1,2,4-Trihydroxyanthra-9,10-quinone #$1,2,4-tris(oxidanyl)anthracene-9,10-dione$CS-0009108$EU-0000318$FT-0699020$P0605$Purpurin, for spectrophotometric det. (of B, Pb)$Q116472$SR-05000002508$Purpurin - CASMI2016 Category 1 - Challenge 18$SR-05000002508-1
+|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-08112312542D
+   -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 5.30985 -5.42507 0.0 0
+M  V30 1 C 4.4 -3.94999 0.0 0
-M  V30 2 C 7.04015 -5.42459 0.0 0
+M  V30 2 C 5.26601 -4.44999 0.0 0
-M  V30 3 C 6.17664 -4.92497 0.0 0
+M  V30 3 C 5.26601 -5.45001 0.0 0
-M  V30 4 C 7.04015 -6.42553 0.0 0
+M  V30 4 C 4.4 -5.95001 0.0 0
-M  V30 5 C 5.30985 -6.43002 0.0 0
+M  V30 5 C 3.53399 -5.45001 0.0 0
-M  V30 6 C 6.17882 -6.92503 0.0 0
+M  V30 6 C 3.53399 -4.44999 0.0 0
-M  V30 7 C 7.90465 -4.92621 0.0 0
+M  V30 7 C 6.13206 -3.94996 0.0 0
-M  V30 8 C 8.77183 -5.42655 0.0 0
+M  V30 8 C 6.99811 -4.44995 0.0 0
-M  V30 9 C 7.9108 -6.92787 0.0 0
+M  V30 9 C 6.99811 -5.44996 0.0 0
-M  V30 10 C 8.77403 -6.42246 0.0 0
+M  V30 10 C 6.13206 -5.94999 0.0 0
-M  V30 11 C 9.63088 -4.92878 0.0 0
+M  V30 11 C 7.86417 -3.94992 0.0 0
-M  V30 12 C 10.4948 -5.42469 0.0 0
+M  V30 12 C 8.73022 -4.4499 0.0 0
-M  V30 13 C 9.64141 -6.92035 0.0 0
+M  V30 13 C 8.73022 -5.44992 0.0 0
-M  V30 14 C 10.4992 -6.41559 0.0 0
+M  V30 14 C 7.86417 -5.94995 0.0 0
-M  V30 15 O 7.90482 -3.92621 0.0 0
+M  V30 15 O 6.13204 -2.94996 0.0 0
-M  V30 16 O 7.91399 -7.92786 0.0 0
+M  V30 16 O 6.13208 -6.94999 0.0 0
-M  V30 17 O 9.62885 -3.92878 0.0 0
+M  V30 17 O 4.4 -2.94999 0.0 0
-M  V30 18 O 11.3591 -4.92169 0.0 0
+M  V30 18 O 2.66796 -3.95 0.0 0
-M  V30 19 O 9.64681 -7.92034 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 3 1
+M  V30 1 1 1 2
-M  V30 2 2 4 2
+M  V30 2 2 2 3
-M  V30 3 1 1 5
+M  V30 3 1 3 4
-M  V30 4 1 2 3
+M  V30 4 2 4 5
-M  V30 5 2 5 6
+M  V30 5 1 5 6
-M  V30 6 1 6 4
+M  V30 6 2 6 1
-M  V30 7 1 8 7
+M  V30 7 1 2 7
-M  V30 8 1 4 9
+M  V30 8 1 7 8
-M  V30 9 1 7 2
+M  V30 9 1 8 9
 M  V30 10 1 9 10
-M  V30 11 2 10 8
+M  V30 11 1 10 3
-M  V30 12 2 12 11
+M  V30 12 2 8 11
-M  V30 13 1 10 13
+M  V30 13 1 11 12
-M  V30 14 1 11 8
+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 7 15
-M  V30 18 2 9 16
+M  V30 18 2 10 16
-M  V30 19 1 11 17
+M  V30 19 1 1 17
-M  V30 20 1 12 18
+M  V30 20 1 6 18
-M  V30 21 1 13 19
+M  V30 21 1 4 19
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=C1C=CC2C(=O)C3C(O)=CC(O)=C(O)C=3C(=O)C=2C=1
+|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