CAS
94249-07-7 Purity
96%
94249-07-7 Purity
96%
![Trisodium 4-amino-3-[[4-[[4-[(4-amino-2-hydroxyphenyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate](https://resource.alfa-chemistry.com/structure/94249-18-0.gif)
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4-[[4-[[2-(Diethylamino)ethyl]sulphonyl]-2,5-dimethoxyphenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid,sodium salt
CAS
94249-20-4
Catalog Number
ACM94249204
Category
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What is the molecular formula of the compound with PubChem CID 90477716?
The molecular formula is C24H27N5Na2O10S2.
When was the compound created in PubChem?
The compound was created on 2015-02-16.
What is the IUPAC name of the compound?
The IUPAC name is disodium;4-[[4-[2-(diethylamino)ethylsulfonyl]-2,5-dimethoxyphenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCN(CC)CCS(=O)(=O)C1=C(C=C(C(=C1)OC)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])OC.[Na+].[Na+].
What is the exact mass of the compound?
The exact mass is 655.09947299 g/mol.
How many hydrogen bond donor count does the compound have?
The compound has 0 hydrogen bond donor count.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count is 14.
How many rotatable bond count does the compound have?
The compound has 11 rotatable bond count.
What is the topological polar surface area of the compound?
The topological polar surface area is 227 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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