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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(=O)C(C1=O)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC(=NO3)C)C)CO

Isomeric SMILES

CC1C(CC(=O)C(C1=O)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC(=NO3)C)C)CO

InChI

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