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

Systemtic Name: 2-[2-chloranyl-3-[1-(1-methoxyethoxy)ethoxymethyl]-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-[1-(1-methoxyethoxy)ethoxymethyl]-4-methylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-[1-(1-methoxyethoxy)ethoxymethyl]-4-methylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-[1-(1-methoxyethoxy)ethoxymethyl]-4-methylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-mesyl-3-[1-(1-methoxyethoxy)ethoxymethyl]benzoyl]cyclohexane-1,3-quinone Formula: C20H25ClO8S MolecularWeight: 460.9257

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OC(C)OCC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CCCC2=O)S(=O)(=O)C

Isomeric SMILES

CC(OC)OC(C)OCC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CCCC2=O)S(=O)(=O)C

InChI

InChI=1S/C20H25ClO8S/c1-11(27-3)29-12(2)28-10-14-17(30(4,25)26)9-8-13(19(14)21)20(24)18-15(22)6-5-7-16(18)23/h8-9,11-12,18H,5-7,10H2,1-4H3