Molecule:100627: Difference between revisions
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molecule
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|molecularFormula=C<sub>20</sub>H<sub>8</sub>Br<sub>4</sub>O<sub>5</sub> | |molecularFormula=C<sub>20</sub>H<sub>8</sub>Br<sub>4</sub>O<sub>5</sub> | ||
|logP= | |logP= | ||
|synonyms= | |synonyms=Red 21$Eosin$2-(2,4,5,7-Tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid$Aizen eosine GH$CHEMBL376503$CHEBI:86277$2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid$Benzoic acid, 2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-$2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid$NSC2087 | ||
|cas=152-75-0 | |cas=152-75-0 | ||
|hasVendors=true | |hasVendors=true | ||
|trivialname= | |trivialname=Red 21 | ||
|abbrev= | |abbrev= | ||
|moleculeKey=AZXGXVQWEUFULR-UHFFFAOYSA-N | |moleculeKey=AZXGXVQWEUFULR-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-11272310022D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 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 25 C 8.4248 -3.52316 0.0 0 | ||
M V30 26 C 8.41833 -2.5231 0.0 0 | M V30 26 C 8.41833 -2.5231 0.0 0 | ||
M V30 27 C 9. | M V30 27 C 9.2676 -4.02007 0.0 0 | ||
M V30 28 O | M V30 28 O 9.8836 -4.79507 0.0 0 | ||
M V30 29 O | M V30 29 O 10.1926 -3.54507 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 84: | Line 84: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|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 | |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 | ||
|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=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) | ||
|inchikey=AZXGXVQWEUFULR-UHFFFAOYSA-N | |inchikey=AZXGXVQWEUFULR-UHFFFAOYSA-N | ||
|width=300px | |width=300px | ||
|height= | |height=200px | ||
|float=none | |float=none | ||
|parent= | |parent= | ||
}} | }} | ||
Latest revision as of 17:18, 3 May 2024
| 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-(2,4,5,7-Tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Aizen eosine GH, CHEMBL376503, CHEBI:86277, 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid, Benzoic acid, 2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-, 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid, NSC2087 |
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