CAS
94042-80-5 Purity
96%
94042-80-5 Purity
96%
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Sodium 4-[[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]oxy]benzenesulfonate
CAS
94042-94-1
Catalog Number
ACM94042941
Category
Other Products
Molecular Weight
576.209978 [g/mol]
Molecular Formula
C14H5F15O4SNa
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Specification
Synonyms
EINECS 301-761-4, CID6366374, Sodium 4-((1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl)oxy)benzenesulphonate, 94042-94-1
IUPAC Name
sodium 4-[(E)-1,1,1,2,5,5,6,6,6-nonafluoro-3,4-bis(trifluoromethyl)hex-3-en-2-yl]oxybenzenesulfonate
SMILES
C1=CC(=CC=C1OC(C(=C(C(C(F)(F)F)(F)F)C(F)(F)F)C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)[O-].[Na+]
InChI Key
GZRNRYCQJMKNSM-USRGLUTNSA-M
EC Number
301-761-4
Exact Mass
575.94900
H-Bond Acceptor
19
H-Bond Donor
0
What is the molecular formula of Sodium 4-[[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]oxy]benzenesulfonate?
The molecular formula is C14H4F15NaO4S.
When was Sodium 4-[[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]oxy]benzenesulfonate created?
It was created on February 5, 2008.
What is the molecular weight of Sodium 4-[[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]oxy]benzenesulfonate?
The molecular weight is 576.21 g/mol.
What is the IUPAC name of Sodium 4-[[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]oxy]benzenesulfonate?
The IUPAC name is sodium;4-[(E)-1,1,1,2,5,5,6,6,6-nonafluoro-3,4-bis(trif luoromethyl)hex-3-en-2-yl]oxybenzenesulfonate.
What is the InChI of Sodium 4-[[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]oxy]benzenesulfonate?
The InChI is InChI=1S/C14H5F15O4S.Na/c15-9(16,13(24,25)26)7(11(18,19)20)8(12(21,22)23)10(17,14(27,28)29)33-5-1-3-6(4-2-5)34 (30,31)32;/h1-4H,(H,30,31,32);/q;+1/p-1/b8-7+;
What is the Canonical SMILES of Sodium 4-[[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]oxy]benzenesulfonate?
The Canonical SMILES is C1=CC(=CC=C1OC(C(=C(C(C(F)(F)F)(F)F)C(F)(F)F)C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)[O-].[Na+].
What is the exact mass of Sodium 4-[[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]oxy]benzenesulfonate?
The exact mass is 575.9488465 g/mol.
How many hydrogen bond acceptors does Sodium 4-[[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]oxy]benzenesulfonate have?
It has 19 hydrogen bond acceptors.
What is the topological polar surface area of Sodium 4-[[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]oxy]benzenesulfonate?
The topological polar surface area is 74.8 Å2.
What is the formal charge of Sodium 4-[[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]oxy]benzenesulfonate?
The formal charge is 0.
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