2-methyl-2-(3-methyl-1,2-oxazol-5-yl)-5-[(2-methylpropan-2-yl)oxymethyl]-4-(3-methylsulfonylphenyl)carbonyl-cyclohexane-1,3-dione

Systemtic Name: 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)-5-[(2-methylpropan-2-yl)oxymethyl]-4-(3-methylsulfonylphenyl)carbonyl-cyclohexane-1,3-dione Openeye Name: 5-(tert-butoxymethyl)-2-methyl-2-(3-methylisoxazol-5-yl)-4-(3-methylsulfonylbenzoyl)cyclohexane-1,3-dione CAS Name: 2-methyl-2-(3-methyl-5-isoxazolyl)-5-[(2-methylpropan-2-yl)oxymethyl]-4-[(3-methylsulfonylphenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)-5-[(2-methylpropan-2-yl)oxymethyl]-4-(3-methylsulfonylbenzoyl)cyclohexane-1,3-dione Traditional Name: 5-(tert-butoxymethyl)-4-(3-mesylbenzoyl)-2-methyl-2-(3-methylisoxazol-5-yl)cyclohexane-1,3-quinone Formula: C24H29NO7S MolecularWeight: 475.55456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO7S/c1-14-10-19(32-25-14)24(5)18(26)12-16(13-31-23(2,3)4)20(22(24)28)21(27)15-8-7-9-17(11-15)33(6,29)30/h7-11,16,20H,12-13H2,1-6H3