Toluene-4-sulfonic acid 4-methoxy-butyl ester

HCID 86601716
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COCCCCOS(=O)(=O)c1ccc(C)cc1
InChIKey
KMSWFXVNGVUJKZ-UHFFFAOYSA-N
Molecular formula
C12H18O4S
Average molar mass
258.34 g/mol

Names & identifiers

Preferred name
Toluene-4-sulfonic acid 4-methoxy-butyl ester
IUPAC
4-methoxybutyl 4-methylbenzenesulfonate

Names & synonyms

4-methoxybutyl 4-methylbenzene-1-sulfonate15146-93-74-methoxybutyl 4-methylbenzenesulfonatetoluene-4-sulfonic acid 4-methoxy-butyl esterSCHEMBL2084522KMSWFXVNGVUJKZ-UHFFFAOYSA-N4-methoxybutyl-4-methylbenzenesulfonateDB-218969EN300-7089285

Database identifiers

PubChem CID
86601716

Properties

Computed structural properties

XLogP
2
Topological polar surface area
61 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

Loading…