Basic information
- Standard SMILES
COc1cccc2c1O[C@H](Cc1cc(C)ccc1S(=O)(=O)[O-])CO2- InChIKey
KIEWYJLVUYUHNK-CYBMUJFWSA-M- Molecular formula
- C17H17O6S-
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.07458443
Names & identifiers
- Preferred name
- (2R)-8-methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl-4-methylbenzenesulfonate
- IUPAC
- 2-[[(3R)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylbenzenesulfonate
Names & synonyms
KIEWYJLVUYUHNK-CYBMUJFWSA-M(2R)-8-methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl-4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 86586596
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- -1
- Complexity
- 502
Related reactions
2 records
Compound notes
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