2-[2-chloranyl-3-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)-4-ethylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione

Systemtic Name: 2-[2-chloranyl-3-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)-4-ethylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-(5-ethyl-4,5-dihydroisoxazol-3-yl)-4-ethylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-(5-ethyl-4,5-dihydroisoxazol-3-yl)-4-ethylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)-4-ethylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-esyl-3-(5-ethyl-2-isoxazolin-3-yl)benzoyl]cyclohexane-1,3-quinone Formula: C20H22ClNO6S MolecularWeight: 439.90978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)C3C(=O)CCCC3=O)S(=O)(=O)CC

Isomeric SMILES

CCC1CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)C3C(=O)CCCC3=O)S(=O)(=O)CC

InChI

InChI=1S/C20H22ClNO6S/c1-3-11-10-13(22-28-11)17-16(29(26,27)4-2)9-8-12(19(17)21)20(25)18-14(23)6-5-7-15(18)24/h8-9,11,18H,3-7,10H2,1-2H3