2-(4-Octanoyl phenyl)ethyl p-toluene sulfonate

HCID 11047707
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Basic information

Standard SMILES
CCCCCCCC(=O)c1ccc(CCOS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
PSPWQJROWCGRES-UHFFFAOYSA-N
Molecular formula
C23H30O4S
Average molar mass
402.5 g/mol

Names & identifiers

Preferred name
2-(4-Octanoyl phenyl)ethyl p-toluene sulfonate
IUPAC
2-(4-octanoylphenyl)ethyl 4-methylbenzenesulfonate

Names & synonyms

1027523-57-4SCHEMBL7934563PSPWQJROWCGRES-UHFFFAOYSA-NDA-161722-(4-octanoyl phenyl)ethyl p-toluene sulfonate

Database identifiers

PubChem CID
11047707

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
68.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
12
Heavy atoms
28

Related reactions

5 records
New reaction record

Compound notes

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