Basic information
- CAS
56448-49-8- Standard SMILES
CCCCCCCCCCCCCCCCCCc1c(C)cccc1S(=O)(=O)O- InChIKey
BBFWQWGJZIJCCT-UHFFFAOYSA-N- Molecular formula
- C25H44O3S
- Average molar mass
- 424.7 g/mol
- Monoisotopic mass
- 424.30111643
Names & identifiers
- Preferred name
- Ethanone,1-(tetrahydro-4-hydroxy-3-thienyl)-(9ci)
- IUPAC
- 3-methyl-2-octadecylbenzenesulfonic acid
Names & synonyms
DB-307865DB-326636Ethanone,1-(tetrahydro-4-hydroxy-3-thienyl)-(9ci)
Database identifiers
- CAS
56448-49-8- PubChem CID
- 57351007
- EC Number
- 260-186-6
Properties
Computed structural properties
- XLogP
- 10.5
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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