CAS
93965-03-8 Purity
96%
93965-03-8 Purity
96%
![1,4-Benzenedisulfonicacid,2-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-5-[2-[1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-](https://resource.alfa-chemistry.com/structure/93965-05-0.gif)
![1-[2-[[4-[[2-Chloro-4-(methylsulphonyl)phenyl]azo]phenyl]ethylamino]ethyl]pyridinium chloride](https://resource.alfa-chemistry.com/structure/93965-06-1.gif)
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Sodium hydrogen-9,10-dihydro-1,8-dihydroxy-4,5-dinitro-9,10-dioxoanthracene-2,7-disulfonate
CAS
93965-08-3
Catalog Number
ACM93965083
Category
Other Products
Molecular Weight
512.314270 [g/mol]
Molecular Formula
C14H6N2O14S2Na
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Specification
Synonyms
EINECS 300-956-1, 93965-08-3, Sodium hydrogen -9,10-dihydro-1,8-dihydroxy-4,5-dinitro-9,10-dioxoanthracene-2,7-disulphonate
IUPAC Name
sodium 1,8-dihydroxy-4,5-dinitro-9,10-dioxo-7-sulfoanthracene-2-sulfonate
Canonical SMILES
C1=C(C2=C(C(=C1S(=O)(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3O)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+]
InChI Key
YLXMZXOFSXABAF-UHFFFAOYSA-M
EC Number
300-956-1
Exact Mass
511.90800
H-Bond Acceptor
14
H-Bond Donor
3
What is the molecular formula of the compound with PubChem CID 44152805?
The molecular formula is C14H5N2NaO14S2.
What is the computed molecular weight of the compound?
The molecular weight is 512.3 g/mol.
What are the synonyms of the compound?
Some synonyms include Sodium hydrogen-9,10-dihydro-1,8-dihydroxy-4,5-dinitro-9,10-dioxoanthracene-2,7-disulphonate and DTXSID50240010.
When was the compound created in PubChem?
The compound was created on August 20, 2009.
What is the IUPAC name of the compound?
The IUPAC name is sodium;1,8-dihydroxy-4,5-dinitro-9,10-dioxo-7-sulfoanthracene-2-sulfonate.
What is the InChIKey of the compound?
The InChIKey is YLXMZXOFSXABAF-UHFFFAOYSA-M.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 295Å2.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
Is the compound is canonicalized in PubChem?
Yes, the compound is canonicalized.
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