(4-chloranyl-3-ethyl-phenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate

Systemtic Name: (4-chloranyl-3-ethyl-phenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate Openeye Name: (4-chloro-3-ethyl-phenyl) 3,5-dimethylisoxazole-4-sulfonate CAS Name: 3,5-dimethyl-4-isoxazolesulfonic acid (4-chloro-3-ethylphenyl) ester IUPAC Name: (4-chloro-3-ethylphenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate Traditional Name: 3,5-dimethylisoxazole-4-sulfonic acid (4-chloro-3-ethyl-phenyl) ester Formula: C13H14ClNO4S MolecularWeight: 315.77256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OS(=O)(=O)C2=C(ON=C2C)C)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OS(=O)(=O)C2=C(ON=C2C)C)Cl

InChI

InChI=1S/C13H14ClNO4S/c1-4-10-7-11(5-6-12(10)14)19-20(16,17)13-8(2)15-18-9(13)3/h5-7H,4H2,1-3H3