Tetrasodium 4,4'-bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)-5,5'-dimethyl(1,1'-biphenyl)-2,2'-disulphonate
Basic information
- CAS
89504-75-6- Standard SMILES
CC1=[N+](c2ccc(S(=O)(=O)[O-])cc2)NC(=O)C1N=Nc1cc(S(=O)(=O)[O-])c(-c2cc(C)c(N=NC3C(=O)N[N+](c4ccc(S(=O)(=O)[O-])cc4)=C3C)cc2S(=O)(=O)[O-])cc1C.[Na+].[Na+].[Na+].[Na+]- InChIKey
MPKFPNNGENKVHC-UHFFFAOYSA-L- Molecular formula
- C34H28N8Na4O14S4+2
- Average molar mass
- 992.9 g/mol
- Monoisotopic mass
- 992.0198594
Names & identifiers
- Preferred name
- Tetrasodium 4,4'-bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)-5,5'-dimethyl(1,1'-biphenyl)-2,2'-disulphonate
- IUPAC
- tetrasodium;4-methyl-2-[5-methyl-4-[[3-methyl-5-oxo-2-(4-sulfonatophenyl)-1,4-dihydropyrazol-2-ium-4-yl]diazenyl]-2-sulfonatophenyl]-5-[[3-methyl-5-oxo-2-(4-sulfonatophenyl)-1,4-dihydropyrazol-2-ium-4-yl]diazenyl]benzenesulfonate
Names & synonyms
EINECS 289-506-2Tetrasodium 4,4'-bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)-5,5'-dimethyl(1,1'-biphenyl)-2,2'-disulphonate
Database identifiers
- CAS
89504-75-6- PubChem CID
- 129011833
Properties
Computed structural properties
- Topological polar surface area
- 376 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 7
- Heavy atoms
- 64
- Formal charge
- 2
- Complexity
- 2,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…