2-[2-chloranyl-3-[(2-ethoxy-2-methoxy-ethoxy)methyl]-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(COCC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CCCC2=O)S(=O)(=O)C)OC

Isomeric SMILES

CCOC(COCC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CCCC2=O)S(=O)(=O)C)OC

InChI

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