2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyloxy]-6-methyl-benzenediazonium tetrafluoroborate

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyloxy]-6-methyl-benzenediazonium tetrafluoroborate Openeye Name: 2-(3,5-dimethylisoxazol-4-yl)sulfonyloxy-6-methyl-benzenediazonium tetrafluoroborate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)sulfonyloxy]-6-methylbenzenediazonium tetrafluoroborate IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyloxy]-6-methylbenzenediazonium tetrafluoroborate Traditional Name: 2-(3,5-dimethylisoxazol-4-yl)sulfonyloxy-6-methyl-benzenediazonium tetrafluoroborate Formula: C12H12BF4N3O4S MolecularWeight: 381.110993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=C(C(=CC=C1)OS(=O)(=O)C2=C(ON=C2C)C)[N+]#N

Isomeric SMILES

[B-](F)(F)(F)F.CC1=C(C(=CC=C1)OS(=O)(=O)C2=C(ON=C2C)C)[N+]#N

InChI

InChI=1S/C12H12N3O4S.BF4/c1-7-5-4-6-10(11(7)14-13)19-20(16,17)12-8(2)15-18-9(12)3;2-1(3,4)5/h4-6H,1-3H3;/q+1;-1