2-[2-chloranyl-3-[5-(methoxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione

Systemtic Name: 2-[2-chloranyl-3-[5-(methoxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-[5-(methoxymethyl)-5-methyl-4H-isoxazol-3-yl]-4-methylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-[5-(methoxymethyl)-5-methyl-4H-isoxazol-3-yl]-4-methylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-[5-(methoxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]-4-methylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-mesyl-3-[5-(methoxymethyl)-5-methyl-2-isoxazolin-3-yl]benzoyl]cyclohexane-1,3-quinone Formula: C20H22ClNO7S MolecularWeight: 455.90918

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)C3C(=O)CCCC3=O)S(=O)(=O)C)COC

Isomeric SMILES

CC1(CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)C3C(=O)CCCC3=O)S(=O)(=O)C)COC

InChI

InChI=1S/C20H22ClNO7S/c1-20(10-28-2)9-12(22-29-20)16-15(30(3,26)27)8-7-11(18(16)21)19(25)17-13(23)5-4-6-14(17)24/h7-8,17H,4-6,9-10H2,1-3H3