Basic information
- CAS
84540-31-8- Standard SMILES
O=[N+]([O-])c1ccc(N=Nc2c(S(=O)(=O)O)cc3cccc(S(=O)(=O)O)c3c2O)cc1- InChIKey
BKUZYERIGBKFLS-UHFFFAOYSA-N- Molecular formula
- C16H11N3O9S2
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 452.99367128
Names & identifiers
- Preferred name
- Disodium 8-hydroxy-7-[(4-nitrophenyl)azo]naphthalene-1,6-disulphonate
- IUPAC
- 8-hydroxy-7-[(4-nitrophenyl)diazenyl]naphthalene-1,6-disulfonic acid
Names & synonyms
84540-31-8DISODIUM 8-HYDROXY-7-[(4-NITROPHENYL)AZO]NAPHTHALENE-1,6-DISULPHONATE8-hydroxy-7-[(4-nitrophenyl)diazenyl]naphthalene-1,6-disulfonic acidEpsilonblauSCHEMBL29655761BKUZYERIGBKFLS-UHFFFAOYSA-N
Database identifiers
- CAS
84540-31-8- PubChem CID
- 407693
- EC Number
- 283-123-4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 867
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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