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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1(CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)C3C(=O)CCCC3=O)S(=O)(=O)C)C

Isomeric SMILES

CCOCC1(CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)C3C(=O)CCCC3=O)S(=O)(=O)C)C

InChI

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