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

Systemtic Name: 2-[2-chloranyl-3-(cyclopropylmethoxy)-4-methylsulfonyl-phenyl]carbonyl-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-(cyclopropylmethoxy)-4-methylsulfonyl-benzoyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-(cyclopropylmethoxy)-4-methylsulfonylphenyl]-oxomethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-(cyclopropylmethoxy)-4-methylsulfonylbenzoyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[2-chloro-3-(cyclopropylmethoxy)-4-mesyl-benzoyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C20H23ClO6S MolecularWeight: 426.91102

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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)OCC3CC3)Cl)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OCC3CC3)Cl)C

InChI

InChI=1S/C20H23ClO6S/c1-20(2)8-13(22)16(14(23)9-20)18(24)12-6-7-15(28(3,25)26)19(17(12)21)27-10-11-4-5-11/h6-7,11,16H,4-5,8-10H2,1-3H3