Basic information
- Standard SMILES
O=C(OCC(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1- InChIKey
VDIUUKOCGCAKDJ-UHFFFAOYSA-O- Molecular formula
- C31H33F2O6S2+
- Average molar mass
- 603.7 g/mol
Names & identifiers
- Preferred name
- Adamantane-1-carboxylic acid-2,2-difluoro-2-sulfo-ethyl ester diphenyl-4-hydroxyphenylsulfonium salt
- IUPAC
- 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;(4-hydroxyphenyl)-diphenylsulfanium
Names & synonyms
SCHEMBL3454419VDIUUKOCGCAKDJ-UHFFFAOYSA-Oadamantane-1-carboxylic acid-2,2-difluoro-2-sulfo-ethyl ester diphenyl-4-hydroxyphenylsulfonium salt
Database identifiers
- PubChem CID
- 87529619
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 1
- Complexity
- 765
Related reactions
1 records
Compound notes
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