CAS
97158-35-5 Purity
96%
97158-35-5 Purity
96%
![3-[[4-[(4-Chlorophenyl)sulfonyl]-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]oxy]propyl(dimethyl)ammonium methanesulfonate](https://resource.alfa-chemistry.com/structure/97158-45-7.gif)
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Sodium 1-cyclohexyl 4-(2-methylpropyl)sulfonatosuccinate
CAS
97158-41-3
Catalog Number
ACM97158413
Category
Other Products
Molecular Weight
358.382990 [g/mol]
Molecular Formula
C14H24O7SNa
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Specification
Synonyms
EINECS 306-372-3, Sodium 1-cyclohexyl 4-(2-methylpropyl) sulphonatosuccinate, 97158-41-3
IUPAC Name
sodium 1-cyclohexyloxy-4-(2-methylpropoxy)-1,4-dioxobutane-2-sulfonate
Canonical SMILES
CC(C)COC(=O)CC(C(=O)OC1CCCCC1)S(=O)(=O)[O-].[Na+]
InChI Key
GABNUIIHUFPRRP-UHFFFAOYSA-M
EC Number
306-372-3
Exact Mass
358.10600
H-Bond Acceptor
7
H-Bond Donor
0
What is the molecular formula of Sodium 1-cyclohexyl 4-(2-methylpropyl)sulfonatosuccinate?
The molecular formula is C14H23NaO7S.
What is the molecular weight of Sodium 1-cyclohexyl 4-(2-methylpropyl)sulfonatosuccinate?
The molecular weight is 358.38 g/mol.
What is the IUPAC name of Sodium 1-cyclohexyl 4-(2-methylpropyl)sulfonatosuccinate?
The IUPAC name is sodium; 1-cyclohexyloxy-4-(2-methylpropoxy)-1,4-dioxobutane-2-sulfonate.
What is the InChI code for Sodium 1-cyclohexyl 4-(2-methylpropyl)sulfonatosuccinate?
The InChI code is InChI=1S/C14H24O7S.Na/c1-10(2)9-20-13(15)8-12(22(17,18)19)14(16)21-11-6-4-3-5-7-11;/h10-12H,3-9H2,1-2H3,(H,17,18,19);/q;+1/p-1.
What is the Canonical SMILES representation of Sodium 1-cyclohexyl 4-(2-methylpropyl)sulfonatosuccinate?
The Canonical SMILES representation is CC(C)COC(=O)CC(C(=O)OC1CCCCC1)S(=O)(=O)[O-].[Na+].
What is the CAS number for Sodium 1-cyclohexyl 4-(2-methylpropyl)sulfonatosuccinate?
The CAS number is 97158-41-3.
How many hydrogen bond donor counts are there in Sodium 1-cyclohexyl 4-(2-methylpropyl)sulfonatosuccinate?
There are 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are there in Sodium 1-cyclohexyl 4-(2-methylpropyl)sulfonatosuccinate?
There are 7 hydrogen bond acceptor counts.
What is the topological polar surface area of Sodium 1-cyclohexyl 4-(2-methylpropyl)sulfonatosuccinate?
The topological polar surface area is 118 Ų.
Is the compound canonicalized for Sodium 1-cyclohexyl 4-(2-methylpropyl)sulfonatosuccinate?
Yes, the compound is canonicalized.
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