2,2'-Oxybis[4-dodecylbenzenesulfonic acid]
Basic information
- CAS
802553-83-9- Standard SMILES
CCCCCCCCCCCCc1ccc(S(=O)(=O)O)c(Oc2cc(CCCCCCCCCCCC)ccc2S(=O)(=O)O)c1- InChIKey
CLBUXKQURIRYQR-UHFFFAOYSA-N- Molecular formula
- C36H58O7S2
- Average molar mass
- 667 g/mol
- Monoisotopic mass
- 666.36239653
Names & identifiers
- Preferred name
- 2,2'-Oxybis[4-dodecylbenzenesulfonic acid]
- IUPAC
- 4-dodecyl-2-(5-dodecyl-2-sulfophenoxy)benzenesulfonic acid
Names & synonyms
2,2'-Oxybis[4-dodecylbenzenesulfonic acid]SCHEMBL8607638DTXSID00863495802553-83-92,2'-Oxybis(4-dodecylbenzene-1-sulfonic acid)
Database identifiers
- CAS
802553-83-9- PubChem CID
- 62565
- DTXSID
DTXSID00863495
Properties
Computed structural properties
- XLogP
- 13.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 26
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 865
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Compound notes
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