benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt
3-[2-(2-anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: 1-(pyridin-2-yl)-4-(3,3,3-triphenylpropyl)piperazine|2-(2-Anilinovinyl)-3-(3-sulfonatopropyl)benzoxazolium|Benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt|Benzoxazolium, 2-[2-(phenylamino)ethenyl]-3-(3-sulfopropyl)-, inner salt|3-[2-(2-anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate|Benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, innersalt|3-{2-[2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium-3-yl}propane-1-sulfonate
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.09872 g/mol |
| LogP | 2.74 |
| Topological Polar Surface Area | 86.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 978.7 |
Chemical Identifiers
| CAS Number | 55036-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=CC2=[N+](C3=CC=CC=C3O2)CCCS(=O)(=O)[O-] |
Product Overview
benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt (CAS 55036-57-2), with molecular formula C18H18N2O4S and molecular weight 358.09872 g/mol. IUPAC: 3-[2-(2-anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate.
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