2-ethyl-5-phenyl-1,2-oxazol-2-ium-3-sulfonate

Systemtic Name: 2-ethyl-5-phenyl-1,2-oxazol-2-ium-3-sulfonate Openeye Name: 2-ethyl-5-phenyl-isoxazol-2-ium-3-sulfonate CAS Name: 2-ethyl-5-phenyl-3-isoxazol-2-iumsulfonate IUPAC Name: 2-ethyl-5-phenyl-1,2-oxazol-2-ium-3-sulfonate Traditional Name: 2-ethyl-5-phenyl-isoxazol-2-ium-3-sulfonate Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=C(O1)C2=CC=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(C=C(O1)C2=CC=CC=C2)S(=O)(=O)[O-]

InChI

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