4-((4-((2-(Diethylamino)ethyl)sulphonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt
Basic information
- CAS
85567-09-5- Standard SMILES
CCN(CC)CCS(=O)(=O)c1ccc(N=NC2C(=O)N(c3ccc(S(=O)(=O)[O-])cc3)N=C2C(=O)[O-])cc1.[Na+].[Na+]- InChIKey
YWOAZUOUIANHHN-UHFFFAOYSA-L- Molecular formula
- C22H23N5Na2O8S2
- Average molar mass
- 595.6 g/mol
- Monoisotopic mass
- 595.07834362
Names & identifiers
- Preferred name
- 4-((4-((2-(Diethylamino)ethyl)sulphonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt
- IUPAC
- disodium;4-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
- English name
- 4-[[4-[[2-(diethylamino)ethyl]sulphonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt
- Molecular formula
- C22H23N5Na2O8S2
- Molecular weight
- 595.55626
Names & synonyms
85567-09-5EINECS 287-721-64-((4-((2-(Diethylamino)ethyl)sulphonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium saltYWOAZUOUIANHHN-UHFFFAOYSA-LDTXSID501006129Disodium 4-({4-[2-(diethylamino)ethanesulfonyl]phenyl}diazenyl)-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate4-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate4-[[4-[[2-(diethylamino)ethyl]sulphonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt4-[[4-[[2-(Diethylamino)ethyl]sulfonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid/sodium,(1:x) salt
Database identifiers
- CAS
85567-09-5- PubChem CID
- 56842579
- DTXSID
DTXSID501006129- EC Number
- 287-721-6
Properties
Computed structural properties
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,070
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…