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

Systemtic Name: 2-[2-chloranyl-4-methylsulfonyl-3-(oxolan-2-yloxymethyl)phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-4-methylsulfonyl-3-(tetrahydrofuran-2-yloxymethyl)benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-4-methylsulfonyl-3-(2-oxolanyloxymethyl)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-4-methylsulfonyl-3-(oxolan-2-yloxymethyl)benzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-mesyl-3-(tetrahydrofuryloxymethyl)benzoyl]cyclohexane-1,3-quinone Formula: C19H21ClO7S MolecularWeight: 428.88384

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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)COC3CCCO3

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COC3CCCO3

InChI

InChI=1S/C19H21ClO7S/c1-28(24,25)15-8-7-11(19(23)17-13(21)4-2-5-14(17)22)18(20)12(15)10-27-16-6-3-9-26-16/h7-8,16-17H,2-6,9-10H2,1H3