Hexa(butane-1-sulfonyl)benzene
Basic information
- CAS
191088-55-8- Standard SMILES
CCCCS(=O)(=O)c1c(S(=O)(=O)CCCC)c(S(=O)(=O)CCCC)c(S(=O)(=O)CCCC)c(S(=O)(=O)CCCC)c1S(=O)(=O)CCCC- InChIKey
PVQHATXTHHVJCM-UHFFFAOYSA-N- Molecular formula
- C30H54O12S6
- Average molar mass
- 799.1 g/mol
- Monoisotopic mass
- 798.19395419
Names & identifiers
- Preferred name
- Hexa(butane-1-sulfonyl)benzene
- IUPAC
- 1,2,3,4,5,6-hexakis(butylsulfonyl)benzene
Names & synonyms
Hexa(butane-1-sulfonyl)benzene191088-55-8SCHEMBL10631412DTXSID30602955
Database identifiers
- CAS
191088-55-8- PubChem CID
- 20146799
- DTXSID
DTXSID30602955- Nikkaji
- J996.210G
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 24
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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