Basic information
- CAS
72829-13-1- Standard SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1ccc(NC(=O)c2ccc(N=NC3C(=O)N(c4ccc(S(=O)(=O)[O-])cc4)N=C3C)cc2)cc1.[Na+].[Na+]- InChIKey
ZAKDIUJDZSMNSX-UHFFFAOYSA-L- Molecular formula
- C33H25N9Na2O9S2
- Average molar mass
- 801.7 g/mol
- Monoisotopic mass
- 801.10120432
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-(4-((4-((4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt
- IUPAC
- disodium;4-[3-methyl-4-[[4-[[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
Names & synonyms
72829-13-1Benzenesulfonic acid, 4-(4-((4-((4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium saltBenzenesulfonic acid, 4-[4-[[4-[[4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]benzoyl]amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, disodium saltEINECS 276-905-1Benzenesulfonic acid, 4-(4-(2-(4-((4-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)NS00090800Disodium p-(4-((4-((4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate
Database identifiers
- CAS
72829-13-1- PubChem CID
- 175194
- EC Number
- 276-905-1
Properties
Computed structural properties
- Topological polar surface area
- 275 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,700
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-[4-[2-[4-[[4-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzoyl]amino]phenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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