Sodium; 3-hydroxy-4-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-ylazo)-naphthalene-1-sulfonate
Basic information
- CAS
14954-75-7- Standard SMILES
Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1c(O)cc(S(=O)(=O)O)c2ccccc12- InChIKey
XZXCWRSZJMLMQQ-UHFFFAOYSA-N- Molecular formula
- C20H16N4O5S
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.0841408
Names & identifiers
- Preferred name
- Sodium; 3-hydroxy-4-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-ylazo)-naphthalene-1-sulfonate
- IUPAC
- 3-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid
Names & synonyms
CHEMBL3144822CHEMBL122211CHEMBL435338SCHEMBL7249422SCHEMBL7249429ACID RED 3BA FREE ACIDNEOLAN PINK P FREE ACIDCHEMBL3144663SCHEMBL11315508SCHEMBL11315541SCHEMBL14400214CI 18760 FREE ACID
Show more names
ESGYLAN PINK EB FREE ACIDNAVITAN PINK EB FREE ACIDTRIAMET PINK BE FREE ACIDDINAIEX RED 3BA FREE ACIDVITROLAN PINK BE FREE ACIDCHROMOLAN PINK BE FREE ACIDANADURM PINK S-BE FREE ACIDBDBM50105936
Database identifiers
- CAS
14954-75-7- PubChem CID
- 65235
- ChEMBL
CHEMBL3144663、CHEMBL3144822- UNII
- 87R9RU27MV
- Nikkaji
- J3.524.165E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 831
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Related reactions
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Compound notes
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