Basic information
- Standard SMILES
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1.[Na+]- InChIKey
CKONSHOJLDXMIM-UHFFFAOYSA-M- Molecular formula
- C7H4NNaO7S
- Average molar mass
- 269.17 g/mol
Names & identifiers
- Preferred name
- 3-Nitro-5-sulfobenzoic acid monosodium salt
- IUPAC
- sodium 3-nitro-5-sulfobenzoate
Names & synonyms
SCHEMBL8439600CKONSHOJLDXMIM-UHFFFAOYSA-M3-nitro-5-sulfobenzoic acid monosodium salt
Database identifiers
- PubChem CID
- 88300003
Properties
Computed structural properties
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 386
Related reactions
1 records
Compound notes
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