Molecule:100651: Difference between revisions

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molecule
(auto-generated)
(auto-generated)
Line 11: Line 11:
|moleculeKey=SEACYXSIPDVVMV-UHFFFAOYSA-L
|moleculeKey=SEACYXSIPDVVMV-UHFFFAOYSA-L
|molOrRxn=
|molOrRxn=
|smiles=
  -INDIGO-01202310182D
|inchi=
 
  0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 32 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.20985 -5.97507 0.0 0
M  V30 2 C 6.94015 -5.97459 0.0 0
M  V30 3 C 6.07664 -5.47497 0.0 0
M  V30 4 C 6.94015 -6.97553 0.0 0
M  V30 5 C 5.20985 -6.98002 0.0 0
M  V30 6 C 6.07882 -7.47503 0.0 0
M  V30 7 C 7.80465 -5.47621 0.0 0
M  V30 8 C 8.67183 -5.97655 0.0 0
M  V30 9 O 7.8108 -7.47787 0.0 0
M  V30 10 C 8.67403 -6.97246 0.0 0
M  V30 11 C 9.53088 -5.47878 0.0 0
M  V30 12 C 10.3948 -5.97469 0.0 0
M  V30 13 C 9.54141 -7.47035 0.0 0
M  V30 14 C 10.3992 -6.96559 0.0 0
M  V30 15 C 7.80482 -4.47621 0.0 0
M  V30 16 C 6.93825 -2.97855 0.0 0
M  V30 17 C 6.93799 -3.97619 0.0 0
M  V30 18 C 7.80475 -2.4775 0.0 0
M  V30 19 C 8.6748 -3.97316 0.0 0
M  V30 20 C 8.66833 -2.9731 0.0 0
M  V30 21 Br 11.2591 -5.47169 0.0 0
M  V30 22 O 11.2684 -7.46007 0.0 0
M  V30 23 Br 9.54681 -8.47034 0.0 0
M  V30 24 Br 6.08268 -8.47503 0.0 0
M  V30 25 O 4.34528 -7.48253 0.0 0 CHG=-1
M  V30 26 Br 4.3439 -5.47495 0.0 0
M  V30 27 C 9.5426 -4.47007 0.0 0
M  V30 28 O 9.5426 -3.47007 0.0 0 CHG=-1
M  V30 29 O 10.4086 -3.97007 0.0 0
M  V30 30 Na 12.45 -2.675 0.0 0 CHG=1
M  V30 31 Na 12.45 -3.25 0.0 0 CHG=1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 3 1
M  V30 2 2 4 2
M  V30 3 1 1 5
M  V30 4 1 2 3
M  V30 5 2 5 6
M  V30 6 1 6 4
M  V30 7 2 8 7
M  V30 8 1 4 9
M  V30 9 1 7 2
M  V30 10 1 9 10
M  V30 11 1 10 8
M  V30 12 2 12 11
M  V30 13 2 10 13
M  V30 14 1 11 8
M  V30 15 1 13 14
M  V30 16 1 14 12
M  V30 17 1 7 15
M  V30 18 2 17 15
M  V30 19 2 18 16
M  V30 20 1 15 19
M  V30 21 1 16 17
M  V30 22 2 19 20
M  V30 23 1 20 18
M  V30 24 1 12 21
M  V30 25 2 14 22
M  V30 26 1 13 23
M  V30 27 1 6 24
M  V30 28 1 5 25
M  V30 29 1 1 26
M  V30 30 1 19 27
M  V30 31 1 27 28
M  V30 32 2 27 29
M  V30 END BOND
M  V30 END CTAB
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.[Na+].[Na+]
|inchi=1S/C20H8Br4O5.2Na/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);;/q;2*+1/p-2
|inchikey=SEACYXSIPDVVMV-UHFFFAOYSA-L
|inchikey=SEACYXSIPDVVMV-UHFFFAOYSA-L
|width=300px
|width=300px

Revision as of 13:02, 3 May 2023

Properties
CID 11048
CAS 548-26-5
IUPAC-Name disodium;2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate
Abbreviation Eosin Y
Trivialname eosin
Exact mass 691.67031
Molecular formula C20H6Br4Na2O5
LogP n/a
Has vendors true
Molecular role n/a
Synonyms eosin,eosin yellowish,eosine yellowish,eosine,c.i. acid red 87,eosine g,eosin ys,bromoeosine,sodium eosine,bromo acid

Eosin Y


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