DOCUSATE CALCIUM

calcium bis(1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate)

CAS: 128-49-4

Molecular Formula	`C40H74CaO14S2`
Molecular Weight	883.2 g/mol
Topological Polar Surface Area	236.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	14
Rotatable Bonds	34
Exact Mass	882.4146
Heavy Atoms	57
Complexity	526.0

Chemical Identifiers

CAS Number	128-49-4
SMILES	`CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Ca+2]`
InChIKey	`DWKPZOZZBLWFJX-UHFFFAOYSA-L`

📖 Product Overview

DOCUSATE CALCIUM (CAS: 128-49-4) is a chemical compound with molecular formula C40H74CaO14S2 and molecular weight 883.2 g/mol. Its IUPAC systematic name is calcium bis(1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate). Topological Polar Surface Area 236.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 14 Rotatable Bonds 34 Exact Mass 882.4146 Heavy Atoms 57 Complexity 526.0 InChI Key: DWKPZOZZBLWFJX-UHFFFAOYSA-L. SMILES: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Ca+2].

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