Basic information
- CAS
21927-94-6- Standard SMILES
COc1ccc(C(=O)c2cc(S(=O)(=O)O)c(OC)cc2O)c(O)c1- InChIKey
RPPHWBSWFASQRA-UHFFFAOYSA-N- Molecular formula
- C15H14O8S
- Average molar mass
- 354.3 g/mol
- Monoisotopic mass
- 354.04093857
Names & identifiers
- Preferred name
- 4-Hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzene-1-sulfonic acid
- IUPAC
- 4-hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzenesulfonic acid
Names & synonyms
DTXSID308631054-Hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzene-1-sulfonic acid21927-94-6RefChem:293307DTXCID00811774SCHEMBL414485SCHEMBL304333072,2'-dihydroxy-4,4'-dimethoxy-5-sulpho-benzophenone
Database identifiers
- CAS
21927-94-6- PubChem CID
- 76570
- DTXSID
DTXSID30863105
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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