Methyl 2-hydroxy-5-(4-hydroxy-2-methoxy-5-methoxycarbonyl-phenyl)sulfonyl-4-methoxy-benzoate
Basic information
- CAS
56923-25-2- Standard SMILES
COC(=O)c1cc(S(=O)(=O)c2cc(C(=O)OC)c(O)cc2OC)c(OC)cc1O- InChIKey
PTHZOEFLUWBKIJ-UHFFFAOYSA-N- Molecular formula
- C18H18O10S
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.06206794
Names & identifiers
- Preferred name
- Methyl 2-hydroxy-5-(4-hydroxy-2-methoxy-5-methoxycarbonyl-phenyl)sulfonyl-4-methoxy-benzoate
- IUPAC
- methyl 2-hydroxy-5-(4-hydroxy-2-methoxy-5-methoxycarbonylphenyl)sulfonyl-4-methoxybenzoate
Names & synonyms
56923-25-2NSC178286METHYL 2-HYDROXY-5-(4-HYDROXY-2-METHOXY-5-METHOXYCARBONYL-PHENYL)SULFONYL-4-METHOXY-BENZOATEDTXSID40306654NSC-178286DS-011417Dimethyl 3,3'-sulfonylbis(6-hydroxy-4-methoxybenzoate)
Database identifiers
- CAS
56923-25-2- PubChem CID
- 301405
- DTXSID
DTXSID40306654
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 635
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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