2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,2-oxazol-2-ium tetrafluoroborate

Systemtic Name: 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,2-oxazol-2-ium tetrafluoroborate Openeye Name: 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-isoxazol-2-ium tetrafluoroborate CAS Name: 2-methyl-5-(4-methylsulfonylphenyl)-4-phenylisoxazol-2-ium tetrafluoroborate IUPAC Name: 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,2-oxazol-2-ium tetrafluoroborate Traditional Name: 5-(4-mesylphenyl)-2-methyl-4-phenyl-isoxazol-2-ium tetrafluoroborate Formula: C17H16BF4NO3S MolecularWeight: 401.183453

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=CC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=CC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C17H16NO3S.BF4/c1-18-12-16(13-6-4-3-5-7-13)17(21-18)14-8-10-15(11-9-14)22(2,19)20;2-1(3,4)5/h3-12H,1-2H3;/q+1;-1