2-[hydroxy-bis(4-sulfooxyphenyl)methyl]benzoic Acid
Basic information
- Standard SMILES
O=C(O)c1ccccc1C(O)(c1ccc(OS(=O)(=O)O)cc1)c1ccc(OS(=O)(=O)O)cc1- InChIKey
PWJNVIYEFADGKL-UHFFFAOYSA-N- Molecular formula
- C20H16O11S2
- Average molar mass
- 496.5 g/mol
- Monoisotopic mass
- 496.01340367
Names & identifiers
- Preferred name
- 2-[hydroxy-bis(4-sulfooxyphenyl)methyl]benzoic Acid
- IUPAC
- 2-[hydroxy-bis(4-sulfooxyphenyl)methyl]benzoic acid
Names & synonyms
2-[hydroxy-bis(4-sulfooxyphenyl)methyl]benzoic AcidDTXSID308669392-{Hydroxybis[4-(sulfooxy)phenyl]methyl}benzoic acid
Database identifiers
- PubChem CID
- 112882
- DTXSID
DTXSID30866939
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 820
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Related reactions
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Compound notes
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