Basic information
- CAS
72263-11-7- Standard SMILES
Cc1ccc(S(=O)(=O)OC2C=CC(=O)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)cc1- InChIKey
WWHDNMWOMVLEMK-UHFFFAOYSA-N- Molecular formula
- C27H22O8S
- Average molar mass
- 506.5 g/mol
- Monoisotopic mass
- 506.10353883
Names & identifiers
- Preferred name
- [6-Benzoyloxy-2-(4-methylphenyl)sulfonyloxy-5-oxocyclohex-3-en-1-yl] benzoate
- IUPAC
- [6-benzoyloxy-2-(4-methylphenyl)sulfonyloxy-5-oxocyclohex-3-en-1-yl] benzoate
Names & synonyms
72263-11-7NSC305698[6-benzoyloxy-2-(4-methylphenyl)sulfonyloxy-5-oxocyclohex-3-en-1-yl] benzoateDTXSID30316681NSC-305698DS-0131723-[(4-Methylbenzene-1-sulfonyl)oxy]-6-oxocyclohex-4-ene-1,2-diyl dibenzoate2-Cyclohexen-1-one,5,6-bis(benzoyloxy)-4-[[(4-methylphenyl)sulfonyl]oxy]-, [4s-(4a,5b,6a)]-(9ci)
Database identifiers
- CAS
72263-11-7- PubChem CID
- 328091
- DTXSID
DTXSID30316681
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 916
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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