Basic information
- CAS
6632-76-4- Standard SMILES
O=S(=O)(O)c1ccc(N=Nc2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c4c3O)cc2)cc1- InChIKey
TYVGSUNDGUVWQC-UHFFFAOYSA-N- Molecular formula
- C22H16N4O11S3
- Average molar mass
- 608.6 g/mol
- Monoisotopic mass
- 607.99777086
Names & identifiers
- Preferred name
- 4,5-Dihydroxy-3-((4-((4-sulfophenyl)diazenyl)phenyl)diazenyl)-2,7-naphthalenedisulfonic acid
- IUPAC
- 4,5-dihydroxy-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
4,5-Dihydroxy-3-((4-((4-sulfophenyl)diazenyl)phenyl)diazenyl)-2,7-naphthalenedisulfonic acidNSC 455936632-76-4NSC455934,5-dihydroxy-3-[(E)-[4-[(E)-(4-sulfophenyl)azo]phenyl]azo]naphthalene-2,7-disulfonic acid
Database identifiers
- CAS
6632-76-4- PubChem CID
- 413226
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 278 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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