CAS
94232-28-7 Purity
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94232-28-7 Purity
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4-Hydroxy-5-[[(p-tolyl)sulfonyl]amino]naphthalene-2,7-disulfonic acid,sodium salt
CAS
94232-32-3
Catalog Number
ACM94232323
Category
Other Products
Molecular Weight
517.460960 [g/mol]
Molecular Formula
C17H13NNa2O9S3
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Specification
Synonyms
EINECS 303-959-6, 4-Hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonicacid, sodium salt, 94232-32-3
IUPAC Name
disodium 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonate
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-].[Na+].[Na+]
InChI Key
TXOWYLCOQKGXRD-UHFFFAOYSA-L
EC Number
303-959-6
Exact Mass
516.95500
H-Bond Acceptor
10
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C17H13NNa2O9S3.
What are some synonyms for the compound?
Some synonyms for the compound include Sodium 4-hydroxy-5-(4-methylphenylsulfonamido)naphthalene-2,7-disulfonate and 4-Hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid, sodium salt.
When was the compound created and last modified?
The compound was created on 2009-08-20 and last modified on 2023-12-30.
What is the molecular weight of the compound?
The molecular weight of the compound is 517.5 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is disodium; 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonate.
What is the InChI key of the compound?
The InChI key of the compound is TXOWYLCOQKGXRD-UHFFFAOYSA-L.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 206 Å2.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
94232-31-2 Purity
96%
94232-31-2 Purity
96%
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CAS
94232-33-4 Purity
96%
94232-33-4 Purity
96%
