2-(2-Ethoxybut-1-enyl)-5-phenyl-3-(3-sulphonatopropyl)benzoxazolium

3-[2-(2-ethoxybut-1-enyl)-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate

Also Known As: EINECS 268-185-2|BAS 00107545|2-(2-Ethoxybut-1-enyl)-5-phenyl-3-(3-sulphonatopropyl)benzoxazolium|Benzoxazolium, 2-(2-ethoxy-1-butenyl)-5-phenyl-3-(3-sulfopropyl)-, inner salt|2-(2-Ethoxy-1-butenyl)-5-phenyl-3-(3-sulfopropyl)benzoxazolium inner salt|3-[2-(2-Ethoxybut-1-en-1-yl)-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate|3-[2-(2-ethoxybut-1-enyl)-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate|Anhydro-2-(2-ethoxy-1-butenyl)-5-phenyl-3-(3-sulfopropyl)benzoxazolium hydroxide|Benzoxazolium, 2-(2-ethoxy-1-buten-1-yl)-5-phenyl-3-(3-sulfopropyl)-, inner salt|Benzoxazolium, 2-(2-ethoxy-1-butenyl)-5-phenyl-3-(3-sulfopropyl)-, hydroxide, inner salt

Molecular Formula	C22H25NO5S
Molecular Weight	415.14536 g/mol
LogP	4.11
Topological Polar Surface Area	83.45 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	9
Exact Mass	415.14536
Heavy Atoms	29
Complexity	1100.9

Chemical Identifiers

CAS Number	68025-27-4
SMILES	CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-])OCC