Ethanol, 2,2'-(1,3-propanediylbis(sulfonyl))bis-, diacetate

HCID 148409

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Basic information

CAS: 41123-66-4
Standard SMILES: CC(=O)OCCS(=O)(=O)CCCS(=O)(=O)CCOC(C)=O
InChIKey: RPJJHYXQZFKGHU-UHFFFAOYSA-N
Molecular formula: C11H20O8S2
Average molar mass: 344.4 g/mol
Monoisotopic mass: 344.05995994

Names & identifiers

Preferred name: Ethanol, 2,2'-(1,3-propanediylbis(sulfonyl))bis-, diacetate
IUPAC: 2-[3-(2-acetyloxyethylsulfonyl)propylsulfonyl]ethyl acetate

Names & synonyms

41123-66-4Ethanol, 2,2'-(1,3-propanediylbis(sulfonyl))bis-, diacetate2,2'-(1,3-Propanediylbis(sulfonyl))bisethanol diacetateDTXSID50194064[(Propane-1,3-diyl)bis(sulfonyl)ethane-2,1-diyl] diacetate

Database identifiers

CAS: 41123-66-4
PubChem CID: 148409
DTXSID: DTXSID50194064

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 138 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 12
Heavy atoms: 21
Formal charge: 0
Complexity: 486

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