3-Hydroxy-4-[2-(2,4,5-trimethylphenyl)diazenyl]-2,7-naphthalenedisulfonic acid
Basic information
- CAS
25738-43-6- Standard SMILES
Cc1cc(C)c(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1C- InChIKey
OQQYJPVCDFFEIV-UHFFFAOYSA-N- Molecular formula
- C19H18N2O7S2
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.05554326
Names & identifiers
- Preferred name
- 3-Hydroxy-4-[2-(2,4,5-trimethylphenyl)diazenyl]-2,7-naphthalenedisulfonic acid
- IUPAC
- 3-hydroxy-4-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2,7-disulfonic acid
- English name
- FOODRED6
- Molecular formula
- C19H18N2O7S2
- Molecular weight
- 450.49
Names & synonyms
25738-43-63-Hydroxy-4-(2-(2,4,5-trimethylphenyl)diazenyl)-2,7-naphthalenedisulfonic acid3-Hydroxy-4-[2-(2,4,5-trimethylphenyl)diazenyl]-2,7-naphthalenedisulfonic acidRefChem:198297Ponceau 3R free acidFood Red 6 free acidWD0P7VB90KC.i. food Red 6 (free acid)UNII-WD0P7VB90K2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-((2,4,5-trimethylphenyl)azo)-2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(2,4,5-trimethylphenyl)diazenyl)-FD and C Red No. 1
Show more names
2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-(2,4,5-trimethylphenyl)diazenyl]-
C.I. 16155CHEMBL2009344DTXSID00859818NCI60_000113Q272925603-Hydroxy-4-[(2,4,5-trimethylphenyl)azo]-2,7-naphthalenedisulfonic acid, 9CI3-Hydroxy-4-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2,7-disulfonic acid
Database identifiers
- CAS
25738-43-6- PubChem CID
- 19096
- DTXSID
DTXSID00859818- ChEMBL
CHEMBL2009344- UNII
- WD0P7VB90K
- Nikkaji
- J247.013F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 849
Physicochemical properties
- FDA UNII
- 0 P7VB90K · WD0P7VB90K
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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