Basic information
- CAS
7508-45-4- Standard SMILES
CCCCCCCCCCCCCCCc1cc(OC)ccc1S(=O)(=O)O- InChIKey
GLIVXGZQUNGZCP-UHFFFAOYSA-N- Molecular formula
- C22H38O4S
- Average molar mass
- 398.6 g/mol
- Monoisotopic mass
- 398.24908086
Names & identifiers
- Preferred name
- 4-Methoxy-2-pentadecylbenzenesulfonic acid
- IUPAC
- 4-methoxy-2-pentadecylbenzenesulfonic acid
Names & synonyms
7508-45-44-methoxy-2-pentadecylbenzenesulfonic acidNSC150854-methoxy-2-pentadecylbenzene-1-sulfonic acidSCHEMBL16272791DTXSID20280009NSC-15085
Database identifiers
- CAS
7508-45-4- PubChem CID
- 225542
- DTXSID
DTXSID20280009- Nikkaji
- J1.343.922B
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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