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

Systemtic Name: 2-[2-chloranyl-3-(ethoxymethyl)-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-(ethoxymethyl)-4-methylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-(ethoxymethyl)-4-methylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-(ethoxymethyl)-4-methylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-3-(ethoxymethyl)-4-mesyl-benzoyl]cyclohexane-1,3-quinone Formula: C17H19ClO6S MolecularWeight: 386.84716

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CCCC2=O)S(=O)(=O)C

Isomeric SMILES

CCOCC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CCCC2=O)S(=O)(=O)C

InChI

InChI=1S/C17H19ClO6S/c1-3-24-9-11-14(25(2,22)23)8-7-10(16(11)18)17(21)15-12(19)5-4-6-13(15)20/h7-8,15H,3-6,9H2,1-2H3