benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt structure

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

CAS: 55036-57-2
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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