Basic information
- CAS
763019-56-3- Standard SMILES
CCCCCCCCCCCCc1ccc(S(=O)(=O)O)c(Oc2ccc(S(=O)(=O)O)cc2)c1- InChIKey
CVTUYCKOUTUMMH-UHFFFAOYSA-N- Molecular formula
- C24H34O7S2
- Average molar mass
- 498.7 g/mol
- Monoisotopic mass
- 498.17459577
Names & identifiers
- Preferred name
- 4-Dodecyl-2,4'-oxydibenzenesulfonic acid
- IUPAC
- 4-dodecyl-2-(4-sulfophenoxy)benzenesulfonic acid
Names & synonyms
4-Dodecyl-2,4'-oxydibenzenesulfonic acid5XD95S531UUNII-5XD95S531U763019-56-33-Dodecylphenoxybenzene-4,6'-disulfonic acidBenzenesulfonic acid, 4-dodecyl-2-(4-sulfophenoxy)-4-dodecyl-2-(4-sulfophenoxy)benzenesulfonic AcidDTXSID708600174-Dodecyl-2-(4-sulfophenoxy)benzene-1-sulfonic acid
Database identifiers
- CAS
763019-56-3- PubChem CID
- 61422
- DTXSID
DTXSID70860017- UNII
- 5XD95S531U
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 732
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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