Basic information
- CAS
126485-32-3- Standard SMILES
CCN(CC)c1ccc(N=Nc2ccc(N=Nc3c(S(=O)(=O)O)cc4ccc(N)cc4c3O)c(OCCO)c2)cc1- InChIKey
VQGQXNRFIZWZGN-UHFFFAOYSA-N- Molecular formula
- C28H30N6O6S
- Average molar mass
- 578.6 g/mol
- Monoisotopic mass
- 578.19475387
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 6-amino-3-((4-((4-(diethylamino)phenyl)azo)-2-(2-hydroxyethoxy)phenyl)azo)-4-hydroxy-
- IUPAC
- 6-amino-3-[[4-[[4-(diethylamino)phenyl]diazenyl]-2-(2-hydroxyethoxy)phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Names & synonyms
NSC632490126485-32-32-Naphthalenesulfonic acid, 6-amino-3-((4-((4-(diethylamino)phenyl)azo)-2-(2-hydroxyethoxy)phenyl)azo)-4-hydroxy-6-amino-3-[(E)-[4-[(E)-[4-(diethylamino)phenyl]azo]-2-(2-hydroxyethoxy)phenyl]azo]-4-hydroxy-naphthalene-2-sulfonic acid6-Amino-3-{(E)-[4-{(E)-[4-(diethylamino)phenyl]diazenyl}-2-(2-hydroxyethoxy)phenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonic acid
Database identifiers
- CAS
126485-32-3- PubChem CID
- 147997
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 968
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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