3,5-Didecyl-2-(4-sulfophenoxy)benzenesulfonic acid
Basic information
- CAS
746574-80-1- Standard SMILES
CCCCCCCCCCc1cc(CCCCCCCCCC)c(Oc2ccc(S(=O)(=O)O)cc2)c(S(=O)(=O)O)c1- InChIKey
VZVSQGONTBMKIC-UHFFFAOYSA-N- Molecular formula
- C32H50O7S2
- Average molar mass
- 610.9 g/mol
- Monoisotopic mass
- 610.29979628
Names & identifiers
- Preferred name
- 3,5-Didecyl-2-(4-sulfophenoxy)benzenesulfonic acid
- IUPAC
- 3,5-didecyl-2-(4-sulfophenoxy)benzenesulfonic acid
Names & synonyms
DTXSID508919403,5-Didecyl-2-(4-sulfophenoxy)benzenesulfonic acid3,5-Didecyl-2-(4-sulfophenoxy)benzene-1-sulfonic acid746574-80-1
Database identifiers
- CAS
746574-80-1- PubChem CID
- 101614830
- DTXSID
DTXSID50891940
Properties
Computed structural properties
- XLogP
- 11.2
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 22
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 871
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Compound notes
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