5-(hydroxymethyl)-2,4-dimethyl-2-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]carbonyl-4-methylsulfonyl-cyclohexane-1,3-dione

Systemtic Name: 5-(hydroxymethyl)-2,4-dimethyl-2-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]carbonyl-4-methylsulfonyl-cyclohexane-1,3-dione Openeye Name: 5-(hydroxymethyl)-2,4-dimethyl-2-[3-(3-methylisoxazol-5-yl)benzoyl]-4-methylsulfonyl-cyclohexane-1,3-dione CAS Name: 5-(hydroxymethyl)-2,4-dimethyl-2-[[3-(3-methyl-5-isoxazolyl)phenyl]-oxomethyl]-4-methylsulfonylcyclohexane-1,3-dione IUPAC Name: 5-(hydroxymethyl)-2,4-dimethyl-2-[3-(3-methyl-1,2-oxazol-5-yl)benzoyl]-4-methylsulfonylcyclohexane-1,3-dione Traditional Name: 4-mesyl-2,4-dimethyl-2-[3-(3-methylisoxazol-5-yl)benzoyl]-5-methylol-cyclohexane-1,3-quinone Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=CC(=CC=C2)C(=O)C3(C(=O)CC(C(C3=O)(C)S(=O)(=O)C)CO)C

Isomeric SMILES

CC1=NOC(=C1)C2=CC(=CC=C2)C(=O)C3(C(=O)CC(C(C3=O)(C)S(=O)(=O)C)CO)C

InChI

InChI=1S/C21H23NO7S/c1-12-8-16(29-22-12)13-6-5-7-14(9-13)18(25)20(2)17(24)10-15(11-23)21(3,19(20)26)30(4,27)28/h5-9,15,23H,10-11H2,1-4H3