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

Systemtic Name: 2-[2-chloranyl-4-ethylsulfonyl-3-[5-(methoxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-4-ethylsulfonyl-3-[5-(methoxymethyl)-5-methyl-4H-isoxazol-3-yl]benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-4-ethylsulfonyl-3-[5-(methoxymethyl)-5-methyl-4H-isoxazol-3-yl]phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-4-ethylsulfonyl-3-[5-(methoxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]benzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-esyl-3-[5-(methoxymethyl)-5-methyl-2-isoxazolin-3-yl]benzoyl]cyclohexane-1,3-quinone Formula: C21H24ClNO7S MolecularWeight: 469.93576

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)C3=NOC(C3)(C)COC

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)C3=NOC(C3)(C)COC

InChI

InChI=1S/C21H24ClNO7S/c1-4-31(27,28)16-9-8-12(20(26)18-14(24)6-5-7-15(18)25)19(22)17(16)13-10-21(2,11-29-3)30-23-13/h8-9,18H,4-7,10-11H2,1-3H3