Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc4c(c3O2)CCO4)cc1- InChIKey
GKFMGNVFDJBEEZ-CYBMUJFWSA-N- Molecular formula
- C18H18O6S
- Average molar mass
- 362.4 g/mol
Names & identifiers
- Preferred name
- (2R)-2,3,8,9-tetrahydrofuro[3,2-f][1,4]benzodioxin-2-ylmethyl 4-methylbenzenesulfonate
- IUPAC
- [(2R)-2,3,8,9-tetrahydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL6627467GKFMGNVFDJBEEZ-CYBMUJFWSA-N(2R)-2,3,8,9-tetrahydrofuro[3,2-f]-[1,4]benzodioxin-2-ylmethyl 4-methylbenzenesulfonate(2R)-2,3,8,9-tetrahydrofuro[3,2-f][1,4]benzodioxin-2-ylmethyl 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 86586535
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 550
Related reactions
4 records
Compound notes
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