2-[2-chloranyl-3-[(2-methylpyrazol-3-yl)oxymethyl]-4-methylsulfonyl-phenyl]carbonyl-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[2-chloranyl-3-[(2-methylpyrazol-3-yl)oxymethyl]-4-methylsulfonyl-phenyl]carbonyl-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-[(2-methylpyrazol-3-yl)oxymethyl]-4-methylsulfonyl-benzoyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-[(2-methyl-3-pyrazolyl)oxymethyl]-4-methylsulfonylphenyl]-oxomethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-[(2-methylpyrazol-3-yl)oxymethyl]-4-methylsulfonylbenzoyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-mesyl-3-[(2-methylpyrazol-3-yl)oxymethyl]benzoyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)COC3=CC=NN3C)Cl)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)COC3=CC=NN3C)Cl)C

InChI

InChI=1S/C21H23ClN2O6S/c1-21(2)9-14(25)18(15(26)10-21)20(27)12-5-6-16(31(4,28)29)13(19(12)22)11-30-17-7-8-23-24(17)3/h5-8,18H,9-11H2,1-4H3