Basic information
- CAS
86795-25-7- Standard SMILES
Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c(O)c12- InChIKey
MRYCJOIRXSCSSH-UHFFFAOYSA-N- Molecular formula
- C19H15N5O9S4
- Average molar mass
- 585.6 g/mol
- Monoisotopic mass
- 584.97526177
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonicacid, 5-amino-4-hydroxy-3-[2-[4-[(2-thiazolylamino)sulfonyl]phenyl]diazenyl]-
- IUPAC
- 5-amino-4-hydroxy-3-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
86795-25-7NSC313452,7-Naphthalenedisulfonicacid, 5-amino-4-hydroxy-3-[2-[4-[(2-thiazolylamino)sulfonyl]phenyl]diazenyl]-NSC-31345DS-012654
Database identifiers
- CAS
86795-25-7- PubChem CID
- 233191
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 292 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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