Molecule:100627: Difference between revisions

InChI	1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)
InChI-Key	AZXGXVQWEUFULR-UHFFFAOYSA-N
SMILES	C(Br)1C(O)=C(Br)C2OC3=C(Br)C(=O)C(Br)=CC3=C(C3C(C(O)=O)=CC=CC=3)C=2C=1

Properties
CID	11049
CAS	152-75-0
IUPAC-Name	2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid
Abbreviation	n/a
Trivialname	red 21
Exact mass	647.70642
Molecular formula	C20H8Br4O5
LogP	n/a
Has vendors	true
Molecular role	n/a
Synonyms	red 21,eosin,2-(2457-tetrabromo-6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid,aizen eosine gh,chembl376503,chebi:86277,2-(2457-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid,benzoic acid 2-(2457-tetrabromo-6-hydroxy-3-oxo-3h-xanthen-9-yl)-,2-(2457-tetrabromo-3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid,nsc2087

Revision as of 10:03, 27 November 2023

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publication

@@ Line 12: / Line 12: @@
 |moleculeKey=AZXGXVQWEUFULR-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-01122314072D
+   -INDIGO-11272310022D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 44: / Line 44: @@
 M  V30 25 C 8.4248 -3.52316 0.0 0
 M  V30 26 C 8.41833 -2.5231 0.0 0
-M  V30 27 C 9.2926 -4.02007 0.0 0
+M  V30 27 C 9.2676 -4.02007 0.0 0
-M  V30 28 O 10.1586 -3.52007 0.0 0
+M  V30 28 O 9.8836 -4.79507 0.0 0
-M  V30 29 O 9.2926 -3.02007 0.0 0
+M  V30 29 O 10.1926 -3.54507 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND