5-(2-ethylphenyl)-1,2-oxazol-2-ium-2-sulfonate

Systemtic Name: 5-(2-ethylphenyl)-1,2-oxazol-2-ium-2-sulfonate Openeye Name: 5-(2-ethylphenyl)isoxazol-2-ium-2-sulfonate CAS Name: 5-(2-ethylphenyl)-2-isoxazol-2-iumsulfonate IUPAC Name: 5-(2-ethylphenyl)-1,2-oxazol-2-ium-2-sulfonate Traditional Name: 5-(2-ethylphenyl)isoxazol-2-ium-2-sulfonate Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=CC=[N+](O2)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1C2=CC=[N+](O2)S(=O)(=O)[O-]

InChI

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