Basic information
- CAS
791769-10-3- Standard SMILES
CCCCc1ccc2c(S(=O)(=O)O)cc(CCCC)cc2c1- InChIKey
DLRGPYQGIHQZBY-UHFFFAOYSA-N- Molecular formula
- C18H24O3S
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.1446158
Names & identifiers
- Preferred name
- 3,6-dibutylnaphthalene-1-sulfonic Acid
- IUPAC
- 3,6-dibutylnaphthalene-1-sulfonic acid
Names & synonyms
3,6-dibutylnaphthalene-1-sulfonic Acid791769-10-3SCHEMBL28487011SCHEMBL31409164DTXSID20860340NS00019601
Database identifiers
- CAS
791769-10-3- PubChem CID
- 32969
- DTXSID
DTXSID20860340- Nikkaji
- J189.069G
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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