4-ethoxy-5-(methoxymethyl)-2-(3-methoxy-2-methyl-4-methylsulfonyl-phenyl)carbonyl-4-methyl-cyclohexane-1,3-dione

Systemtic Name: 4-ethoxy-5-(methoxymethyl)-2-(3-methoxy-2-methyl-4-methylsulfonyl-phenyl)carbonyl-4-methyl-cyclohexane-1,3-dione Openeye Name: 4-ethoxy-5-(methoxymethyl)-2-(3-methoxy-2-methyl-4-methylsulfonyl-benzoyl)-4-methyl-cyclohexane-1,3-dione CAS Name: 4-ethoxy-5-(methoxymethyl)-2-[(3-methoxy-2-methyl-4-methylsulfonylphenyl)-oxomethyl]-4-methylcyclohexane-1,3-dione IUPAC Name: 4-ethoxy-5-(methoxymethyl)-2-(3-methoxy-2-methyl-4-methylsulfonylbenzoyl)-4-methylcyclohexane-1,3-dione Traditional Name: 4-ethoxy-2-(4-mesyl-3-methoxy-2-methyl-benzoyl)-5-(methoxymethyl)-4-methyl-cyclohexane-1,3-quinone Formula: C21H28O8S MolecularWeight: 440.50722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C(CC(=O)C(C1=O)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OC)C)COC)C

Isomeric SMILES

CCOC1(C(CC(=O)C(C1=O)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OC)C)COC)C

InChI

InChI=1S/C21H28O8S/c1-7-29-21(3)13(11-27-4)10-15(22)17(20(21)24)18(23)14-8-9-16(30(6,25)26)19(28-5)12(14)2/h8-9,13,17H,7,10-11H2,1-6H3