RefChem:118712

2-[4-(N-acetylanilino)buta-1,3-dienyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate

Also Known As: EINECS 263-937-6|Benzoxazolium, 2-[4-(acetylphenylamino)-1,3-butadienyl]-3-ethyl-5-sulfo-, inner salt|2-[4-(acetylphenylamino)buta-1,3-dienyl]-3-ethyl-5-sulphonatobenzoxazolium|Benzoxazolium, 2-(4-(acetylphenylamino)-1,3-butadien-1-yl)-3-ethyl-5-sulfo-, inner salt|Benzoxazolium, 2-(4-(acetylphenylamino)-1,3-butadienyl)-3-ethyl-5-sulfo-, inner salt|2-[(3E)-4-(N-acetylanilino)buta-1,3-dienyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate|Benzoxazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-5-sulfo-, inner salt|Benzoxazolium, 2-[4-(acetylphenylamino)-1,3-butadienyl]-3-ethyl-5-sulfo-, hydroxide, inner salt

Molecular Formula	C21H20N2O5S
Molecular Weight	412.10928 g/mol
LogP	3.22
Topological Polar Surface Area	94.53 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	412.10928
Heavy Atoms	29
Complexity	1194.5

Chemical Identifiers

CAS Number	63148-85-6
SMILES	CC[N+]1=C(OC2=C1C=C(C=C2)S(=O)(=O)[O-])C=CC=CN(C3=CC=CC=C3)C(=O)C