Basic information
- Standard SMILES
CC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1O2- InChIKey
JTPPWGYSPSGKBR-UHFFFAOYSA-N- Molecular formula
- C14H10O4S
- Average molar mass
- 274.29 g/mol
Names & identifiers
- Preferred name
- 1-(10,10-Dioxophenoxathiin-2-yl)ethanone
- IUPAC
- 1-(10,10-dioxophenoxathiin-2-yl)ethanone
Names & synonyms
CHEMBL653101-(10,10-dioxophenoxathiin-2-yl)ethanoneSCHEMBL9778262JTPPWGYSPSGKBR-UHFFFAOYSA-N2-Acetylphenoxathiin-10,10-dioxideBDBM50064662Ethanone, 1-(10,10-dioxido-2-phenoxathiinyl)-1-(10,10-Dioxo-10H-10lambda*6*-phenoxathiin-2-yl)-ethanone
Database identifiers
- PubChem CID
- 515177
- ChEMBL
CHEMBL65310
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 464
Related reactions
2 records
Compound notes
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