benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfobutyl)-, inner salt

4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-2-sulfonate

Also Known As: EINECS 257-575-8|2-methyl-5-phenyl-3- benzoxazolium|2-Methyl-5-phenyl-3-(3-sulphonatobutyl)benzoxazolium|Benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfobutyl)-, inner salt|4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-2-sulfonate|2-Methyl-5-phenyl-3-(3-sulfonatobutyl)benzoxazol-3-ium|Benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfobutyl)-, hydroxide, inner salt|2-METHYL-5-PHENYL-3-(3-SULFONATOBUTYL)-1,3-BENZOXAZOL-3-IUM

Molecular Formula	C18H19NO4S
Molecular Weight	345.1035 g/mol
LogP	3.02
Topological Polar Surface Area	74.22 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	345.1035
Heavy Atoms	24
Complexity	961.4

Chemical Identifiers

CAS Number	51981-34-1
SMILES	CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCC(C)S(=O)(=O)[O-]