[1-(2,6-Diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2-iodoethyl] 4-methylbenzenesulfonate
Basic information
- CAS
7468-57-7- Standard SMILES
Cc1ccc(S(=O)(=O)OC(CI)C2OC(c3ccccc3)OC3COC(c4ccccc4)OC32)cc1- InChIKey
BAECIMNJDZDGFY-UHFFFAOYSA-N- Molecular formula
- C27H27IO7S
- Average molar mass
- 622.5 g/mol
- Monoisotopic mass
- 622.05222
Names & identifiers
- Preferred name
- [1-(2,6-Diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2-iodoethyl] 4-methylbenzenesulfonate
- IUPAC
- [1-(2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2-iodoethyl] 4-methylbenzenesulfonate
Names & synonyms
7468-57-7NSC403984DTXSID40323427NSC-4039841-(2,6-Diphenyltetrahydro-2H,6H-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2-iodoethyl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
7468-57-7- PubChem CID
- 345995
- DTXSID
DTXSID40323427
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 784
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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