AC1O5MZK
2-[(E)-2-ethoxybut-1-enyl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium;4-methylbenzenesulfonate
Also Known As: Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1)|Benzoxazolium, 2-(2-ethoxy-1-buten-1-yl)-3-ethyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)|2-[(E)-2-ethoxybut-1-enyl]-3-ethyl-5-phenyl-benzooxazole; 4-methylbenzenesulfonate|2-(2-Ethoxybut-1-en-1-yl)-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium 4-methylbenzene-1-sulfonate|2-[(E)-2-ethoxybut-1-enyl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate
| Molecular Formula | C28H31NO5S |
|---|---|
| Molecular Weight | 493.1923 g/mol |
| LogP | 6.09372 |
| Topological Polar Surface Area | 83.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.1923 |
| Monoisotopic Mass | 493.1923 |
| Heavy Atoms | 35 |
| Complexity | 1388.8241 |
Chemical Identifiers
| CAS Number | 65293-86-9 |
|---|---|
| SMILES | CC/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CC)/OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
AC1O5MZK (CAS 65293-86-9), with molecular formula C28H31NO5S and molecular weight 493.1923 g/mol. IUPAC: 2-[(E)-2-ethoxybut-1-enyl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium;4-methylbenzenesulfonate.