1,2-oxazol-3-yl 6-chloranyl-5-methyl-4-methylsulfonyl-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: 1,2-oxazol-3-yl 6-chloranyl-5-methyl-4-methylsulfonyl-cyclohexa-1,5-diene-1-carboxylate Openeye Name: isoxazol-3-yl 6-chloro-5-methyl-4-methylsulfonyl-cyclohexa-1,5-diene-1-carboxylate CAS Name: 6-chloro-5-methyl-4-methylsulfonyl-1-cyclohexa-1,5-dienecarboxylic acid 3-isoxazolyl ester IUPAC Name: 1,2-oxazol-3-yl 6-chloro-5-methyl-4-methylsulfonylcyclohexa-1,5-diene-1-carboxylate Traditional Name: 6-chloro-4-mesyl-5-methyl-cyclohexa-1,5-diene-1-carboxylic acid isoxazol-3-yl ester Formula: C12H12ClNO5S MolecularWeight: 317.74538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CCC1S(=O)(=O)C)C(=O)OC2=NOC=C2)Cl

Isomeric SMILES

CC1=C(C(=CCC1S(=O)(=O)C)C(=O)OC2=NOC=C2)Cl

InChI

InChI=1S/C12H12ClNO5S/c1-7-9(20(2,16)17)4-3-8(11(7)13)12(15)19-10-5-6-18-14-10/h3,5-6,9H,4H2,1-2H3