(2-propan-2-ylphenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate

Systemtic Name: (2-propan-2-ylphenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate Openeye Name: (2-isopropylphenyl) 3,5-dimethylisoxazole-4-sulfonate CAS Name: 3,5-dimethyl-4-isoxazolesulfonic acid (2-propan-2-ylphenyl) ester IUPAC Name: (2-propan-2-ylphenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate Traditional Name: 3,5-dimethylisoxazole-4-sulfonic acid o-cumenyl ester Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)OC2=CC=CC=C2C(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)OC2=CC=CC=C2C(C)C

InChI

InChI=1S/C14H17NO4S/c1-9(2)12-7-5-6-8-13(12)19-20(16,17)14-10(3)15-18-11(14)4/h5-9H,1-4H3