Basic information
- Standard SMILES
O=C(O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1- InChIKey
VUELIPXXERJGDG-UHFFFAOYSA-N- Molecular formula
- C19H20O6S
- Average molar mass
- 376.4 g/mol
Names & identifiers
- Preferred name
- 4-[4-Phenoxyphenylsulfonylmethyl]-tetrahydropyran-4-carboxylic acid
- IUPAC
- 4-[(4-phenoxyphenyl)sulfonylmethyl]oxane-4-carboxylic acid
Names & synonyms
SCHEMBL7310714VUELIPXXERJGDG-UHFFFAOYSA-N4-[4-phenoxyphenylsulfonylmethyl]-tetrahydropyran-4-carboxylic acid
Database identifiers
- PubChem CID
- 21224166
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 561
Related reactions
2 records
Compound notes
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