Disodium 2,2'-oxybis(4-dodecylbenzenesulfonate)
Basic information
- CAS
5136-51-6- Standard SMILES
CCCCCCCCCCCCc1ccc(S(=O)(=O)[O-])c(Oc2cc(CCCCCCCCCCCC)ccc2S(=O)(=O)[O-])c1.[Na+].[Na+]- InChIKey
XNVLWGKGHDHNFH-UHFFFAOYSA-L- Molecular formula
- C36H56Na2O7S2
- Average molar mass
- 710.9 g/mol
- Monoisotopic mass
- 710.32628503
Names & identifiers
- Preferred name
- Disodium 2,2'-oxybis(4-dodecylbenzenesulfonate)
- IUPAC
- disodium;4-dodecyl-2-(5-dodecyl-2-sulfonatophenoxy)benzenesulfonate
- English name
- Disodium 2,2'-oxybis(4-dodecylbenzene)sulfonate
- Molecular formula
- C36H56Na2O7S2
- Molecular weight
- 710.93518
Names & synonyms
Disodium 2,2'-oxybis(4-dodecylbenzenesulfonate)5136-51-6Caswell No. 407EPA Pesticide Chemical Code 079003Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium saltSCHEMBL2809211DTXSID2063713SCHEMBL30519797NS00120724Disodium 2,2'-oxybis(4-dodecylbenzene-1-sulfonate)Disodium 2,2'-oxybis(4-dodecylbenzene)sulfonateDisodium 4-dodecyl-2-(5-dodecyl-2-sulfonatophenoxy)benzenesulfonate
Database identifiers
- CAS
5136-51-6- PubChem CID
- 62564
- DTXSID
DTXSID2063713
Properties
Computed structural properties
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 24
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 839
Physicochemical properties
- EPA Substance Registry System
- 2 · Disodium 2,2'-oxybis(4-dodecylbenzenesulfonate) (5136-51-6)
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Compound notes
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