5-(2-ethylphenyl)-1,2-oxazol-2-ium-2-sulfonic acid; 1,2-oxazol-2-ium

Systemtic Name: 5-(2-ethylphenyl)-1,2-oxazol-2-ium-2-sulfonic acid; 1,2-oxazol-2-ium Openeye Name: 5-(2-ethylphenyl)isoxazol-2-ium-2-sulfonic acid; isoxazol-2-ium CAS Name: 5-(2-ethylphenyl)-2-isoxazol-2-iumsulfonic acid; isoxazol-2-ium IUPAC Name: 5-(2-ethylphenyl)-1,2-oxazol-2-ium-2-sulfonic acid; 1,2-oxazol-2-ium Traditional Name: 5-(2-ethylphenyl)isoxazol-2-ium-2-sulfonic acid; isoxazol-2-ium Formula: C14H16N2O5S+2 MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=CC=[N+](O2)S(=O)(=O)O.C1=CO[NH+]=C1

Isomeric SMILES

CCC1=CC=CC=C1C2=CC=[N+](O2)S(=O)(=O)O.C1=CO[NH+]=C1

InChI

InChI=1S/C11H11NO4S.C3H3NO/c1-2-9-5-3-4-6-10(9)11-7-8-12(16-11)17(13,14)15;1-2-4-5-3-1/h3-8H,2H2,1H3;1-3H/p+2