2-(2-ethylphenyl)-1,2-oxazol-2-ium-3-sulfonate

Systemtic Name: 2-(2-ethylphenyl)-1,2-oxazol-2-ium-3-sulfonate Openeye Name: 2-(2-ethylphenyl)isoxazol-2-ium-3-sulfonate CAS Name: 2-(2-ethylphenyl)-3-isoxazol-2-iumsulfonate IUPAC Name: 2-(2-ethylphenyl)-1,2-oxazol-2-ium-3-sulfonate Traditional Name: 2-(2-ethylphenyl)isoxazol-2-ium-3-sulfonate Formula: C11H11NO4S MolecularWeight: 253.27434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1[N+]2=C(C=CO2)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1[N+]2=C(C=CO2)S(=O)(=O)[O-]

InChI

InChI=1S/C11H11NO4S/c1-2-9-5-3-4-6-10(9)12-11(7-8-16-12)17(13,14)15/h3-8H,2H2,1H3