5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid hydrate
Basic information
- Standard SMILES
COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O.O- InChIKey
MGLMEJLINAZYBG-UHFFFAOYSA-N- Molecular formula
- C14H14O7S
- Average molar mass
- 326.32 g/mol
- Monoisotopic mass
- 326.04602395
Names & identifiers
- Preferred name
- 5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid hydrate
- IUPAC
- 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid;hydrate
Names & synonyms
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid hydrateSulisobenzone hydrateBIM-0016590.P001DTXSID2057572SCHEMBL14058252C14H14O7SCCG-5571SBI-0016590.0001F494208SR-01000203696SR-01000203696-15-benzoyl-4-hydroxy-2-methoxy-benzenesulfonic acid;hydrate
Show more names
5-Benzoyl-4-hydroxy-2-methoxybenzene-1-sulfonic acid--water (1/1)
Database identifiers
- PubChem CID
- 2840109
- DTXSID
DTXSID2057572
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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