AC1L4Y0I
5-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-sulfophenyl]benzenesulfonic acid
Also Known As: 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid|5-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-sulfophenyl]benzenesulfonic acid|[1,1'-Biphenyl]-2,2'-disulfonicacid,4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-|4,4 -Bis[[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol]-4-yl]azo][1,1 -biphenyl]-2,2 -disulfonic acid|4,4'-bis({2-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazen-1-yl})-[1,1'-biphenyl]-2,2'-disulfonic acid|4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1- -1H-pyrazol-4-yl]azo][1,1'-biphenyl]-2,2'-disulphonicacid|4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-2,2'-disulphonic acid|4,4'-bis{(e)-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}biphenyl-2,2'-disulfonic acid
| Molecular Formula | C32H26N8O14S4 |
|---|---|
| Molecular Weight | 874.0451 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 366.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 11 |
| Exact Mass | 874.0451 |
| Monoisotopic Mass | 874.0451 |
| Heavy Atoms | 58 |
| Complexity | 2010.0 |
Chemical Identifiers
| CAS Number | 84682-07-5 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2)C3=C(C=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)O)C)S(=O)(=O)O)S(=O)(=O)O)C6=CC=C(C=C6)S(=O)(=O)O |
| InChIKey | OLVWUHJTNDWHFJ-UHFFFAOYSA-N |
Product Overview
AC1L4Y0I (CAS 84682-07-5), with molecular formula C32H26N8O14S4 and molecular weight 874.0451 g/mol. IUPAC: 5-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-sulfophenyl]benzenesulfonic acid.