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

Systemtic Name: 2-methyl-5-phenyl-1,2-oxazol-2-ium-3-sulfonate Openeye Name: 2-methyl-5-phenyl-isoxazol-2-ium-3-sulfonate CAS Name: 2-methyl-5-phenyl-3-isoxazol-2-iumsulfonate IUPAC Name: 2-methyl-5-phenyl-1,2-oxazol-2-ium-3-sulfonate Traditional Name: 2-methyl-5-phenyl-isoxazol-2-ium-3-sulfonate Formula: C10H9NO4S MolecularWeight: 239.24776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO4S/c1-11-10(16(12,13)14)7-9(15-11)8-5-3-2-4-6-8/h2-7H,1H3