Basic information
- CAS
72263-10-6- Standard SMILES
Cc1ccc(S(=O)(=O)OC2C(O)CC(=O)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)cc1- InChIKey
ZZASBZSZVFGRIB-UHFFFAOYSA-N- Molecular formula
- C27H24O9S
- Average molar mass
- 524.5 g/mol
- Monoisotopic mass
- 524.11410351
Names & identifiers
- Preferred name
- [2-Benzoyloxy-5-hydroxy-6-(4-methylphenyl)sulfonyloxy-3-oxocyclohexyl] benzoate
- IUPAC
- [2-benzoyloxy-5-hydroxy-6-(4-methylphenyl)sulfonyloxy-3-oxocyclohexyl] benzoate
Names & synonyms
72263-10-6NSC305699[2-benzoyloxy-5-hydroxy-6-(4-methylphenyl)sulfonyloxy-3-oxocyclohexyl] benzoateDTXSID90316682NSC-3056994-Hydroxy-3-[(4-methylbenzene-1-sulfonyl)oxy]-6-oxocyclohexane-1,2-diyl dibenzoate
Database identifiers
- CAS
72263-10-6- PubChem CID
- 328092
- DTXSID
DTXSID90316682
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 907
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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