methyl 5-butanoyl-1-chloranyl-2,2-dimethyl-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: methyl 5-butanoyl-1-chloranyl-2,2-dimethyl-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: methyl 5-butanoyl-1-chloro-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylate CAS Name: 1-chloro-2,2-dimethyl-4,6-dioxo-5-(1-oxobutyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-butanoyl-1-chloro-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate Traditional Name: 5-butyryl-1-chloro-4,6-diketo-2,2-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C14H19ClO5 MolecularWeight: 302.75066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClO5/c1-5-6-8(16)10-9(17)7-13(2,3)14(15,11(10)18)12(19)20-4/h10H,5-7H2,1-4H3