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

Systemtic Name: 2-[2-chloranyl-5-(methoxymethyl)-4-methylsulfonyl-3-(oxolan-2-yl)phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-5-(methoxymethyl)-4-methylsulfonyl-3-tetrahydrofuran-2-yl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-5-(methoxymethyl)-4-methylsulfonyl-3-(2-oxolanyl)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-5-(methoxymethyl)-4-methylsulfonyl-3-(oxolan-2-yl)benzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-mesyl-5-(methoxymethyl)-3-(tetrahydrofuryl)benzoyl]cyclohexane-1,3-quinone Formula: C20H23ClO7S MolecularWeight: 442.91042

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(=C(C(=C1)C(=O)C2C(=O)CCCC2=O)Cl)C3CCCO3)S(=O)(=O)C

Isomeric SMILES

COCC1=C(C(=C(C(=C1)C(=O)C2C(=O)CCCC2=O)Cl)C3CCCO3)S(=O)(=O)C

InChI

InChI=1S/C20H23ClO7S/c1-27-10-11-9-12(19(24)16-13(22)5-3-6-14(16)23)18(21)17(15-7-4-8-28-15)20(11)29(2,25)26/h9,15-16H,3-8,10H2,1-2H3