Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C27H18N4Na2O9S2
- Molecular weight
- 652.6 g/mol
- IUPAC name
- disodium;4-[(2Z)-2-[(5E)-3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate
- SMILES
- C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N/N=C\3/C=C(C(=O)/C(=N\NC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])/C3=O)CO.[Na+].[Na+]
- InChIKey
- TUQJHVRCALPCHU-QPRXZMCZSA-L
- Polar surface area
- 234 Ų
- H-bond donors
- 3
- H-bond acceptors
- 13
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 652.0310587160001
- Has use
- food coloring
Show 4 more facts
- chemical formula
- C₂₇H₂₀N₄Na₂O₉S₂
- canonical SMILES
- [Na+].[Na+].Oc3c(cc(CO)c(O)c3N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)N=Nc5ccc(c4ccccc45)S([O-])(=O)=O
- Commons category
- Brown HT
- isomeric SMILES
- O=c1c(CO)c/c(=N/Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c(=O)/c1=N/Nc1ccc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+]
Sources (1)
via Wikidata · CC0