CAS
97889-86-6 Purity
96%
97889-86-6 Purity
96%
![Hydrogen[4-[4-(diethylamino)-alpha-(disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium,sodium salt](https://resource.alfa-chemistry.com/structure/97889-87-7.gif)
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Dialuminum tris[2-(2,4,5-tribromo-6-oxido-3-oxoxanthen-9-yl)benzoate]
CAS
97889-89-9
Catalog Number
ACM97889899
Category
Other Products
Molecular Weight
1754.898817 [g/mol]
Molecular Formula
C60H21Al2Br9O15
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Specification
Synonyms
Dialuminium tris(2-(2,4,5-tribromo-6-oxido-3-oxoxanthen-9-yl)benzoate), 97889-89-9, EINECS 308-167-4
IUPAC Name
dialuminum;2-(2,4,5-tribromo-3-oxido-6-oxoxanthen-9-yl)benzoate
Canonical SMILES
C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)C(=O)[O-].C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)C(=O)[O-].C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)C(=O)[O-].[Al+3].[Al+3]
InChI Key
KFGXCTBDOJZIHS-UHFFFAOYSA-H
EC Number
308-167-4
H-Bond Acceptor
15
H-Bond Donor
0
What is the PubChem CID of the compound?
The PubChem CID of the compound is 71300971.
What is the molecular formula of the compound?
The molecular formula of the compound is C60H21Al2Br9O15.
What are the synonyms for the compound?
The synonyms for the compound are EINECS 308-167-4, 97889-89-9, Dialuminium tris(2-(2,4,5-tribromo-6-oxido-3-oxoxanthen-9-yl)benzoate), and Dialuminum tris[2-(2,4,5-tribromo-6-oxido-3-oxoxanthen-9-yl)benzoate].
What is the molecular weight of the compound?
The molecular weight of the compound is 1754.9 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is dialuminum;2-(2,4,5-tribromo-3-oxido-6-oxoxanthen-9-yl)benzoate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/3C20H9Br3O5.2Al/c3*21-12-7-11-14(8-3-1-2-4-9(8)20(26)27)10-5-6-13(24)15(22)18(10)28-19(11)16(23)17(12)25;;/h3*1-7,25H,(H,26,27);;/q;;;2*+3/p-6.
What is the InChIKey of the compound?
The InChIKey of the compound is KFGXCTBDOJZIHS-UHFFFAOYSA-H.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)C(=O)[O-].C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)C(=O)[O-].C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)C(=O)[O-].[Al+3].[Al+3].
What is the CAS number of the compound?
The CAS number of the compound is 97889-89-9.
Does the compound have a defined bond stereocenter count?
No, the compound does not have a defined bond stereocenter count.
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