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

Systemtic Name: methyl 3-butanoyl-2,4-bis(oxidanylidene)-6-(2,6,6-trimethylcyclohexen-1-yl)cyclohexane-1-carboxylate Openeye Name: methyl 3-butanoyl-2,4-dioxo-6-(2,6,6-trimethylcyclohexen-1-yl)cyclohexanecarboxylate CAS Name: 2,4-dioxo-3-(1-oxobutyl)-6-(2,6,6-trimethyl-1-cyclohexenyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-2,4-dioxo-6-(2,6,6-trimethylcyclohexen-1-yl)cyclohexane-1-carboxylate Traditional Name: 3-butyryl-2,4-diketo-6-(2,6,6-trimethylcyclohexen-1-yl)cyclohexanecarboxylic acid methyl ester Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(C(C1=O)C(=O)OC)C2=C(CCCC2(C)C)C

Isomeric SMILES

CCCC(=O)C1C(=O)CC(C(C1=O)C(=O)OC)C2=C(CCCC2(C)C)C

InChI

InChI=1S/C21H30O5/c1-6-8-14(22)17-15(23)11-13(16(19(17)24)20(25)26-5)18-12(2)9-7-10-21(18,3)4/h13,16-17H,6-11H2,1-5H3