phenyl 3,5-dimethyl-1,2-oxazole-4-sulfonate

Systemtic Name: phenyl 3,5-dimethyl-1,2-oxazole-4-sulfonate Openeye Name: phenyl 3,5-dimethylisoxazole-4-sulfonate CAS Name: 3,5-dimethyl-4-isoxazolesulfonic acid phenyl ester IUPAC Name: phenyl 3,5-dimethyl-1,2-oxazole-4-sulfonate Traditional Name: 3,5-dimethylisoxazole-4-sulfonic acid phenyl ester Formula: C11H11NO4S MolecularWeight: 253.27434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)OC2=CC=CC=C2

InChI

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