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

Systemtic Name: 2-[2-chloranyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-(3-methylisoxazol-5-yl)-4-methylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-(3-methyl-5-isoxazolyl)-4-methylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-mesyl-3-(3-methylisoxazol-5-yl)benzoyl]cyclohexane-1,3-quinone Formula: C18H16ClNO6S MolecularWeight: 409.84074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=C(C=CC(=C2Cl)C(=O)C3C(=O)CCCC3=O)S(=O)(=O)C

Isomeric SMILES

CC1=NOC(=C1)C2=C(C=CC(=C2Cl)C(=O)C3C(=O)CCCC3=O)S(=O)(=O)C

InChI

InChI=1S/C18H16ClNO6S/c1-9-8-13(26-20-9)16-14(27(2,24)25)7-6-10(17(16)19)18(23)15-11(21)4-3-5-12(15)22/h6-8,15H,3-5H2,1-2H3