3-(4-Methylphenyl)sulfonyloxybutyl 4-methylbenzenesulfonate

HCID 342249

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Basic information

CAS: 49662-28-4
Standard SMILES: Cc1ccc(S(=O)(=O)OCCC(C)OS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey: YSOXTCSGMGOBKU-UHFFFAOYSA-N
Molecular formula: C18H22O6S2
Average molar mass: 398.5 g/mol
Monoisotopic mass: 398.08578076

Names & identifiers

Preferred name: 3-(4-Methylphenyl)sulfonyloxybutyl 4-methylbenzenesulfonate
IUPAC: 3-(4-methylphenyl)sulfonyloxybutyl 4-methylbenzenesulfonate

Names & synonyms

49662-28-41-methyl-4-[4-(4-methylphenyl)sulfonyloxybutan-2-yloxysulfonyl]benzene3-(4-methylphenyl)sulfonyloxybutyl 4-methylbenzenesulfonate1,3-Bis(tosyloxy)butaneNSC378238SCHEMBL14778278DTXSID40321589AKOS024263943NSC-378238Butane-1,3-diyl bis(4-methylbenzene-1-sulfonate)

Database identifiers

CAS: 49662-28-4
PubChem CID: 342249
DTXSID: DTXSID40321589
Nikkaji: J2.641.358C

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 104 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 616

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