Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccccc3O2)cc1- InChIKey
OTGAYUCEDFKLHW-CYBMUJFWSA-N- Molecular formula
- C16H16O5S
- Average molar mass
- 320.4 g/mol
Names & identifiers
- Preferred name
- (R)-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl 4-methylbenzenesulfonate
- IUPAC
- [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate
Names & synonyms
(R)-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl 4-methylbenzenesulfonate62501-70-6SCHEMBL567428OTGAYUCEDFKLHW-CYBMUJFWSA-N(R)-1,4-benzodioxan-2-ylmethyl toluene-4-sulphonate(r)-2-[(4-methylphenylsulfonyloxy)methyl]-1,4-benzodioxaneToluene-4-sulfonic acid (R)-1-(2,3-dihydro-benzo[1,4]dioxin-2-yl)methyl ester
Database identifiers
- PubChem CID
- 7101148
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Related reactions
14 records
Compound notes
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