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

Systemtic Name: 5-(hydroxymethyl)-2-[2-methyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfonyl-phenyl]carbonyl-cyclohexane-1,3-dione Openeye Name: 5-(hydroxymethyl)-2-[2-methyl-3-(3-methylisoxazol-5-yl)-4-methylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 5-(hydroxymethyl)-2-[[2-methyl-3-(3-methyl-5-isoxazolyl)-4-methylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 5-(hydroxymethyl)-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]-5-methylol-cyclohexane-1,3-quinone Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=C(C=CC(=C2C)C(=O)C3C(=O)CC(CC3=O)CO)S(=O)(=O)C

Isomeric SMILES

CC1=NOC(=C1)C2=C(C=CC(=C2C)C(=O)C3C(=O)CC(CC3=O)CO)S(=O)(=O)C

InChI

InChI=1S/C20H21NO7S/c1-10-6-16(28-21-10)18-11(2)13(4-5-17(18)29(3,26)27)20(25)19-14(23)7-12(9-22)8-15(19)24/h4-6,12,19,22H,7-9H2,1-3H3