Basic information
- CAS
90127-76-7- Standard SMILES
CCS(=O)(=O)C(Sc1ccccc1)=C(S(=O)(=O)CC)S(=O)(=O)CC- InChIKey
PCYWTCJKDYKMJF-UHFFFAOYSA-N- Molecular formula
- C14H20O6S4
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.01427305
Names & identifiers
- Preferred name
- {[Tri(ethanesulfonyl)ethenyl]sulfanyl}benzene
- IUPAC
- 1,2,2-tris(ethylsulfonyl)ethenylsulfanylbenzene
Names & synonyms
90127-76-7{[Tri(ethanesulfonyl)ethenyl]sulfanyl}benzeneDTXSID80527548{[1,2,2-Tri(ethanesulfonyl)ethen-1-yl]sulfanyl}benzene
Database identifiers
- CAS
90127-76-7- PubChem CID
- 13205373
- DTXSID
DTXSID80527548
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 717
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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