2-{[(Butylsulfonyl)oxy]methyl}-2-ethylbutyl butane-1-sulfonate

HCID 229591

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Basic information

CAS: 5455-55-0
Standard SMILES: CCCCS(=O)(=O)OCC(CC)(CC)COS(=O)(=O)CCCC
InChIKey: QOURGJDTNCZVHX-UHFFFAOYSA-N
Molecular formula: C15H32O6S2
Average molar mass: 372.5 g/mol
Monoisotopic mass: 372.16403108

Names & identifiers

Preferred name: 2-{[(Butylsulfonyl)oxy]methyl}-2-ethylbutyl butane-1-sulfonate
IUPAC: [2-(butylsulfonyloxymethyl)-2-ethylbutyl] butane-1-sulfonate

Names & synonyms

5455-55-02-{[(butylsulfonyl)oxy]methyl}-2-ethylbutyl butane-1-sulfonateNSC23370DTXSID20281894NSC-233702-{[(BUTANE-1-SULFONYL)OXY]METHYL}-2-ETHYLBUTYL BUTANE-1-SULFONATE

Database identifiers

CAS: 5455-55-0
PubChem CID: 229591
DTXSID: DTXSID20281894

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 104 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 14
Heavy atoms: 23
Formal charge: 0
Complexity: 451

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