Calcium p-toluenesulphonate structure

Calcium p-toluenesulphonate

calcium bis(4-methylbenzenesulfonate)

Also Known As: Calcium p-toluenesulphonate|calcium paratoluenesulfonate|EINECS 253-183-6|CALCIUM P-TOLUENESULFONATE|C7H8O3S.1/2Ca|Calcium 4-methylbenzenesulfonate|C7-H8-O3-S.1/2Ca|Bis(p-toluenesulfonic acid)calcium salt|Calcium bis(4-methylbenzene-1-sulfonate)|Benzenesulfonic acid, 4-methyl-, calcium salt|Benzenesulfonic acid, 4-methyl-, calcium salt (2:1)|253-183-6

CAS: 36747-44-1
Molecular Formula C14H14CaO6S2
Molecular Weight 381.98578 g/mol
LogP 1.41744
Topological Polar Surface Area 114.4 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 2
Exact Mass 381.98578
Monoisotopic Mass 381.98578
Heavy Atoms 23
Complexity 752.3412

Chemical Identifiers

CAS Number 36747-44-1
SMILES CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]

Product Overview

Calcium p-toluenesulphonate (CAS 36747-44-1), with molecular formula C14H14CaO6S2 and molecular weight 381.98578 g/mol. IUPAC: calcium bis(4-methylbenzenesulfonate).

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