Basic information
- CAS
95046-25-6- Standard SMILES
O=C1/C(=C/C=C2\Oc3ccccc3N2CCCOS(=O)(=O)[O-])N(CCO)C(=S)N1c1ccccc1.[Na+]- InChIKey
MTCWCQWVPAJEJF-DHFPWTGPSA-M- Molecular formula
- C23H22N3NaO7S2
- Average molar mass
- 539.6 g/mol
- Monoisotopic mass
- 539.07968668
Names & identifiers
- Preferred name
- 1-(2-Hydroxyethyl)-3-phenyl-2-thioxo-5-((3-(3-(sulphooxy)propyl)-3H-benzoxazol-2-ylidene)ethylidene)imidazolidin-4-one, monosodium salt
- IUPAC
- sodium 3-[(2Z)-2-[(2Z)-2-[3-(2-hydroxyethyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propyl sulfate
Names & synonyms
EINECS 305-813-71-(2-Hydroxyethyl)-3-phenyl-2-thioxo-5-((3-(3-(sulphooxy)propyl)-3H-benzoxazol-2-ylidene)ethylidene)imidazolidin-4-one, monosodium salt95046-25-6MTCWCQWVPAJEJF-DHFPWTGPSA-M
Database identifiers
- CAS
95046-25-6- PubChem CID
- 44153173
- EC Number
- 305-813-7
- Nikkaji
- J326.319C
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 963
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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