Basic information
- Standard SMILES
CC=CCC(C(=O)OCC)S(=O)(=O)c1ccc(C)cc1- InChIKey
PDULKOSPRACIRQ-UHFFFAOYSA-N- Molecular formula
- C15H20O4S
- Average molar mass
- 296.4 g/mol
Names & identifiers
- Preferred name
- Toluene-4-sulfonyl-hex-4-enoic acid ethyl ester
- IUPAC
- ethyl 2-(4-methylphenyl)sulfonylhex-4-enoate
Names & synonyms
PDULKOSPRACIRQ-UHFFFAOYSA-Ntoluene-4sulfonyl-hex-4-enoic acid ethyl estertoluene-4-sulfonyl-hex-4-enoic acid ethyl ester
Database identifiers
- PubChem CID
- 86586576
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 425
Related reactions
5 records
Compound notes
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