Basic information
- CAS
26841-13-4- Standard SMILES
Cc1ccc(OS(=O)(=O)c2cccc(S(=O)(=O)Oc3ccc(C)cc3)c2)cc1- InChIKey
OZCZQBHRVXLKGD-UHFFFAOYSA-N- Molecular formula
- C20H18O6S2
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.05448064
Names & identifiers
- Preferred name
- Bis(4-methylphenyl) benzene-1,3-disulfonate
- IUPAC
- bis(4-methylphenyl) benzene-1,3-disulfonate
Names & synonyms
bis(4-methylphenyl) benzene-1,3-disulfonate26841-13-4NSC86035DTXSID70292839NSC-86035AKOS0219831891,3-BIS(4-METHYLPHENYL) BENZENE-1,3-DISULFONATE
Database identifiers
- CAS
26841-13-4- PubChem CID
- 257652
- DTXSID
DTXSID70292839
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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