2-[2-chloranyl-3-(cyclopentyloxymethyl)-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COC3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COC3CCCC3

InChI

InChI=1S/C20H23ClO6S/c1-28(25,26)17-10-9-13(20(24)18-15(22)7-4-8-16(18)23)19(21)14(17)11-27-12-5-2-3-6-12/h9-10,12,18H,2-8,11H2,1H3