Basic information
- CAS
7149-20-4- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1O- InChIKey
VKCVEIUNYZTNAK-UHFFFAOYSA-N- Molecular formula
- C12H8N2O8S
- Average molar mass
- 340.27 g/mol
- Monoisotopic mass
- 340.00013639
Names & identifiers
- Preferred name
- 4-(4-Hydroxy-3-nitro-phenyl)sulfonyl-2-nitro-phenol
- IUPAC
- 4-(4-hydroxy-3-nitrophenyl)sulfonyl-2-nitrophenol
Names & synonyms
7149-20-44,4'-sulfonylbis(2-nitrophenol)4-(4-hydroxy-3-nitro-phenyl)sulfonyl-2-nitro-phenolphenol, 4,4'-sulfonylbis[2-nitro-3,3'-Dinitro-4,4'-dihydroxydiphenylsulfoneNSC689435NSC407634-(4-hydroxy-3-nitrophenyl)sulfonyl-2-nitrophenolSCHEMBL690064-hydroxy-3-nitrophenyl sulfoneCHEMBL1622618SCHEMBL31080938
Show more names
DTXSID70285160NSC-40763STK672839AKOS000528613NSC-689435ST40275693,3'-Dinitro-4,4'-dihydroxydiphenylsulphone4,4'-dihydroxy-3,3'-dinitrodiphenyl sulfone
Database identifiers
- CAS
7149-20-4- PubChem CID
- 237347
- DTXSID
DTXSID70285160- ChEMBL
CHEMBL1622618- Nikkaji
- J567.249J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 519
Related reactions
1 records
Compound notes
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