(3-methyl-1,2-oxazol-5-yl)methyl 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C13H12ClNO5S MolecularWeight: 329.75608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C13H12ClNO5S/c1-8-5-10(20-15-8)7-19-13(16)9-3-4-11(14)12(6-9)21(2,17)18/h3-6H,7H2,1-2H3