methyl 3-butanoyl-6-(2-methylsulfonylethyl)-2,4-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: methyl 3-butanoyl-6-(2-methylsulfonylethyl)-2,4-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: methyl 3-butanoyl-6-(2-methylsulfonylethyl)-2,4-dioxo-cyclohexanecarboxylate CAS Name: 6-(2-methylsulfonylethyl)-2,4-dioxo-3-(1-oxobutyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-6-(2-methylsulfonylethyl)-2,4-dioxocyclohexane-1-carboxylate Traditional Name: 3-butyryl-2,4-diketo-6-(2-mesylethyl)cyclohexanecarboxylic acid methyl ester Formula: C15H22O7S MolecularWeight: 346.39598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(C(C1=O)C(=O)OC)CCS(=O)(=O)C

Isomeric SMILES

CCCC(=O)C1C(=O)CC(C(C1=O)C(=O)OC)CCS(=O)(=O)C

InChI

InChI=1S/C15H22O7S/c1-4-5-10(16)13-11(17)8-9(6-7-23(3,20)21)12(14(13)18)15(19)22-2/h9,12-13H,4-8H2,1-3H3