Basic information
- CAS
23003-92-1- Standard SMILES
CCCCCCC(CCCCC)c1ccc(S(=O)(=O)O)cc1- InChIKey
GHNRTXCRBJQVGN-UHFFFAOYSA-N- Molecular formula
- C18H30O3S
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.19156599
Names & identifiers
- Preferred name
- 4-dodecan-6-ylbenzenesulfonic Acid
- IUPAC
- 4-dodecan-6-ylbenzenesulfonic acid
Names & synonyms
4-dodecan-6-ylbenzenesulfonic Acid23003-92-14-(Dodecan-6-yl)benzene-1-sulfonic acid6-(p-sulfophenyl) dodecaneGTPL2362SCHEMBL6128184DTXSID30860093NS00001000
Database identifiers
- CAS
23003-92-1- PubChem CID
- 16652
- DTXSID
DTXSID30860093- Nikkaji
- J490.286F
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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