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

Systemtic Name: 4-ethoxy-5-(hydroxymethyl)-2-(3-methoxy-2-methyl-4-methylsulfonyl-phenyl)carbonyl-4-methyl-cyclohexane-1,3-dione Openeye Name: 4-ethoxy-5-(hydroxymethyl)-2-(3-methoxy-2-methyl-4-methylsulfonyl-benzoyl)-4-methyl-cyclohexane-1,3-dione CAS Name: 4-ethoxy-5-(hydroxymethyl)-2-[(3-methoxy-2-methyl-4-methylsulfonylphenyl)-oxomethyl]-4-methylcyclohexane-1,3-dione IUPAC Name: 4-ethoxy-5-(hydroxymethyl)-2-(3-methoxy-2-methyl-4-methylsulfonylbenzoyl)-4-methylcyclohexane-1,3-dione Traditional Name: 4-ethoxy-2-(4-mesyl-3-methoxy-2-methyl-benzoyl)-4-methyl-5-methylol-cyclohexane-1,3-quinone Formula: C20H26O8S MolecularWeight: 426.48064

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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)CO)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26O8S/c1-6-28-20(3)12(10-21)9-14(22)16(19(20)24)17(23)13-7-8-15(29(5,25)26)18(27-4)11(13)2/h7-8,12,16,21H,6,9-10H2,1-5H3