AC1MIIF3
calcium bis(2,5-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy]benzenesulfonate)
Also Known As: Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt|2-(4-Chlorophenoxy)-2-methylpropanoic acid 2-sulfo-1,4-phenylene ester calcium salt|calcium 2,5-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy]benzenesulfonate|Calcium bis(2,5-bis{[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy}benzene-1-sulfonate)
CAS: 58357-75-8
| Molecular Formula | C52H46CaCl4O18S2 |
|---|---|
| Molecular Weight | 1202.0505 g/mol |
| LogP | 10.4662 |
| Topological Polar Surface Area | 256.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 18 |
| Exact Mass | 1202.0505 |
| Monoisotopic Mass | 1204.0476 |
| Heavy Atoms | 77 |
| Complexity | 3095.291 |
Chemical Identifiers
| CAS Number | 58357-75-8 |
|---|---|
| SMILES | CC(C)(C(=O)OC1=CC(=C(C=C1)OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)S(=O)(=O)[O-])OC3=CC=C(C=C3)Cl.CC(C)(C(=O)OC1=CC(=C(C=C1)OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)S(=O)(=O)[O-])OC3=CC=C(C=C3)Cl.[Ca+2] |
Product Overview
AC1MIIF3 (CAS 58357-75-8), with molecular formula C52H46CaCl4O18S2 and molecular weight 1202.0505 g/mol. IUPAC: calcium bis(2,5-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy]benzenesulfonate).
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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