benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt
calcium bis(2,5-dihydroxy-4-(4-methylphenyl)sulfonylbenzenesulfonate)
Also Known As: 5-Amino-2-iodo-benzoic acid|Calcium 2,5-dihydroxy-4-tosylbenzenesulfonate|Benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt|2,5-Dihydroxy-4-((4-methylphenyl)sulfonyl)benzenesulfonic acid calcium salt|calcium 2,5-dihydroxy-4-(4-methylphenyl)sulfonylbenzenesulfonate|calcium,2,5-dihydroxy-4-(4-methylphenyl)sulfonylbenzenesulfonate|CALCIUM 2,5-DIHYDROXY-4-(4-METHYLPHENYL)SULFONYL-BENZENESULFONATE|Calcium bis[2,5-dihydroxy-4-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonate]
| Molecular Formula | C26H22CaO14S4 |
|---|---|
| Molecular Weight | 725.95184 g/mol |
| LogP | 1.90544 |
| Topological Polar Surface Area | 263.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 725.95184 |
| Monoisotopic Mass | 725.95184 |
| Heavy Atoms | 45 |
| Complexity | 2020.1165 |
Chemical Identifiers
| CAS Number | 57772-61-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)O)S(=O)(=O)[O-])O.CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)O)S(=O)(=O)[O-])O.[Ca+2] |
Product Overview
benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt (CAS 57772-61-9), with molecular formula C26H22CaO14S4 and molecular weight 725.95184 g/mol. IUPAC: calcium bis(2,5-dihydroxy-4-(4-methylphenyl)sulfonylbenzenesulfonate).