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

Systemtic Name: 2-[2-chloranyl-4-methylsulfonyl-3-(oxolan-2-ylmethoxymethyl)phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-4-methylsulfonyl-3-(tetrahydrofuran-2-ylmethoxymethyl)benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-4-methylsulfonyl-3-(2-oxolanylmethoxymethyl)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-4-methylsulfonyl-3-(oxolan-2-ylmethoxymethyl)benzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-mesyl-3-(tetrahydrofurfuryloxymethyl)benzoyl]cyclohexane-1,3-quinone Formula: C20H23ClO7S MolecularWeight: 442.91042

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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)COCC3CCCO3

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC3CCCO3

InChI

InChI=1S/C20H23ClO7S/c1-29(25,26)17-8-7-13(20(24)18-15(22)5-2-6-16(18)23)19(21)14(17)11-27-10-12-4-3-9-28-12/h7-8,12,18H,2-6,9-11H2,1H3