Basic information
- CAS
68239-52-1- Standard SMILES
O=[N+]([O-])c1cc(N=Nc2c([O-])ccc3ccccc23)c([O-])c2ccc(S(=O)(=O)[O-])cc12.[Cr+3].[H+].[OH-]- InChIKey
KVANRAQHNDODCY-UHFFFAOYSA-K- Molecular formula
- C20H12CrN3O8S
- Average molar mass
- 506.4 g/mol
- Monoisotopic mass
- 505.975015
Names & identifiers
- Preferred name
- Chromate(1-), hydroxy(3-(hydroxy-kappaO)-4-((2-(hydroxy-kappaO)-1-naphthalenyl)azo-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, hydrogen
- IUPAC
- chromium(3+);hydron;8-nitro-5-oxido-6-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate;hydroxide
Names & synonyms
EINECS 269-447-9Chromate(1-), hydroxy(3-(hydroxy-kappaO)-4-((2-(hydroxy-kappaO)-1-naphthalenyl)azo-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, hydrogenChromate(1-), hydroxy(3-(hydroxy-kappaO)-4-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, hydrogen (1:1)Hydrogen hydroxy(3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))chromate(1-)
Database identifiers
- CAS
68239-52-1- PubChem CID
- 176355
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 782
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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