Basic information
- CAS
137322-07-7- Standard SMILES
CCCc1cc(S(=O)(=O)O)c(CCC)c(CCC)c1CCC- InChIKey
MZQKADNPDLDGJD-UHFFFAOYSA-N- Molecular formula
- C18H30O3S
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.19156599
Names & identifiers
- Preferred name
- Benzenesulfonic acid, tetrapropyl-
- IUPAC
- 2,3,4,5-tetrapropylbenzenesulfonic acid
Names & synonyms
Benzenesulfonic acid, tetrapropyl-137322-07-7tetrapropylbenzenesulfonic acidDTXSID80160136RefChem:325611DTXCID3082627SCHEMBL453387tetrapropylbenzene sulfonic acid2,3,4,5-Tetrapropylbenzene-1-sulfonic acid
Database identifiers
- CAS
137322-07-7- PubChem CID
- 178392
- DTXSID
DTXSID80160136
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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