DTXSID30866914
4-[4-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
| Molecular Formula | C20H22N4O12S3 |
|---|---|
| Molecular Weight | 606.6 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 253.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 606.0396 |
| Heavy Atoms | 39 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 25311-20-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)O)OC)C3=CC=C(C=C3)S(=O)(=O)O |
| InChIKey | DXCCMFSEQJYYIA-UHFFFAOYSA-N |
📖 Product Overview
DTXSID30866914 (CAS: 25311-20-0) is a chemical compound with molecular formula C20H22N4O12S3 and molecular weight 606.6 g/mol. Its IUPAC systematic name is 4-[4-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
DXCCMFSEQJYYIA-UHFFFAOYSA-N.
SMILES: CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)O)OC)C3=CC=C(C=C3)S(=O)(=O)O.
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