2-ethyl-5-phenyl-4,5-dihydro-1,2-oxazol-2-ium-3-sulfonic acid

Systemtic Name: 2-ethyl-5-phenyl-4,5-dihydro-1,2-oxazol-2-ium-3-sulfonic acid Openeye Name: 2-ethyl-5-phenyl-4,5-dihydroisoxazol-2-ium-3-sulfonic acid CAS Name: 2-ethyl-5-phenyl-4,5-dihydroisoxazol-2-ium-3-sulfonic acid IUPAC Name: 2-ethyl-5-phenyl-4,5-dihydro-1,2-oxazol-2-ium-3-sulfonic acid Traditional Name: 2-ethyl-5-phenyl-2-isoxazolin-2-ium-3-sulfonic acid Formula: C11H14NO4S+ MolecularWeight: 256.29816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4S/c1-2-12-11(17(13,14)15)8-10(16-12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/p+1