Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2COc3ccccc3C2)cc1- InChIKey
RUHGAFLTZAJEQS-UHFFFAOYSA-N- Molecular formula
- C17H18O4S
- Average molar mass
- 318.4 g/mol
Names & identifiers
- Preferred name
- Toluene-4-sulfonic acid Chroman-3-ylmethyl ester
- IUPAC
- 3,4-dihydro-2H-chromen-3-ylmethyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL5859996RUHGAFLTZAJEQS-UHFFFAOYSA-N3-(p-toluenesulphonyloxymethyl)chromanchroman-3-ylmethyl 4-methylbenzenesulfonateToluene-4-sulfonic acid Chroman-3-ylmethyl ester
Database identifiers
- PubChem CID
- 11267124
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Related reactions
14 records
Compound notes
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