DTXSID90889649
disodium;5-[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]-2-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]benzenesulfonate
| Molecular Formula | C35H26N6Na2O10S3 |
|---|---|
| Molecular Weight | 832.8 g/mol |
| Topological Polar Surface Area | 265.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 832.0668 |
| Heavy Atoms | 56 |
| Complexity | 1700.0 |
Chemical Identifiers
| CAS Number | 15792-50-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC=C(C=C4)N=NC5C(=NN(C5=O)C6=CC=C(C=C6)S(=O)(=O)[O-])C)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | ZHWICICYHQPKAD-UHFFFAOYSA-L |
📖 Product Overview
DTXSID90889649 (CAS: 15792-50-4) is a chemical compound with molecular formula C35H26N6Na2O10S3 and molecular weight 832.8 g/mol. Its IUPAC systematic name is disodium;5-[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]-2-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]benzenesulfonate.
ZHWICICYHQPKAD-UHFFFAOYSA-L.
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC=C(C=C4)N=NC5C(=NN(C5=O)C6=CC=C(C=C6)S(=O)(=O)[O-])C)S(=O)(=O)[O-].[Na+].[Na+].
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