4-(3-methoxy-2-methyl-4-methylsulfonyl-phenyl)carbonyl-2-methyl-6-propan-2-yloxy-bicyclo[4.1.0]heptane-3,5-dione

Systemtic Name: 4-(3-methoxy-2-methyl-4-methylsulfonyl-phenyl)carbonyl-2-methyl-6-propan-2-yloxy-bicyclo[4.1.0]heptane-3,5-dione Openeye Name: 1-isopropoxy-3-(3-methoxy-2-methyl-4-methylsulfonyl-benzoyl)-5-methyl-norcarane-2,4-dione CAS Name: 4-[(3-methoxy-2-methyl-4-methylsulfonylphenyl)-oxomethyl]-2-methyl-6-propan-2-yloxybicyclo[4.1.0]heptane-3,5-dione IUPAC Name: 4-(3-methoxy-2-methyl-4-methylsulfonylbenzoyl)-2-methyl-6-propan-2-yloxybicyclo[4.1.0]heptane-3,5-dione Traditional Name: 1-isopropoxy-3-(4-mesyl-3-methoxy-2-methyl-benzoyl)-5-methyl-norcarane-2,4-quinone Formula: C21H26O7S MolecularWeight: 422.49194

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC2(C(=O)C(C1=O)C(=O)C3=C(C(=C(C=C3)S(=O)(=O)C)OC)C)OC(C)C

Isomeric SMILES

CC1C2CC2(C(=O)C(C1=O)C(=O)C3=C(C(=C(C=C3)S(=O)(=O)C)OC)C)OC(C)C

InChI

InChI=1S/C21H26O7S/c1-10(2)28-21-9-14(21)12(4)17(22)16(20(21)24)18(23)13-7-8-15(29(6,25)26)19(27-5)11(13)3/h7-8,10,12,14,16H,9H2,1-6H3