4-[(1E)-2-[2,6-Dihydroxy-3-[(1E)-2-(2-hydroxy-5-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-1-[(1E)-2-(4-nitrophenyl)diazenyl]-2,7-naphthalenedisulfonic acid
Basic information
- CAS
1185250-55-8- Standard SMILES
O=[N+]([O-])c1ccc(N=Nc2c(S(=O)(=O)O)cc(N=Nc3c(O)ccc(N=Nc4cc([N+](=O)[O-])ccc4O)c3O)c3c(O)cc(S(=O)(=O)O)cc23)cc1- InChIKey
HILRXHQLZGLADT-UHFFFAOYSA-N- Molecular formula
- C28H18N8O14S2
- Average molar mass
- 754.6 g/mol
- Monoisotopic mass
- 754.03838962
Names & identifiers
- Preferred name
- 4-[(1E)-2-[2,6-Dihydroxy-3-[(1E)-2-(2-hydroxy-5-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-1-[(1E)-2-(4-nitrophenyl)diazenyl]-2,7-naphthalenedisulfonic acid
- IUPAC
- 4-[[2,6-dihydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-1-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
DTXSID9010996311185250-55-84-[(1E)-2-[2,6-Dihydroxy-3-[(1E)-2-(2-hydroxy-5-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-1-[(1E)-2-(4-nitrophenyl)diazenyl]-2,7-naphthalenedisulfonic acid
Database identifiers
- CAS
1185250-55-8- PubChem CID
- 165366285
- DTXSID
DTXSID901099631
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 372 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 8
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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