[4-butanoyl-3,5-bis(oxidanylidene)cyclohexyl]methyl 2-chloranylethanoate

Systemtic Name: [4-butanoyl-3,5-bis(oxidanylidene)cyclohexyl]methyl 2-chloranylethanoate Openeye Name: (4-butanoyl-3,5-dioxo-cyclohexyl)methyl 2-chloroacetate CAS Name: 2-chloroacetic acid [3,5-dioxo-4-(1-oxobutyl)cyclohexyl]methyl ester IUPAC Name: (4-butanoyl-3,5-dioxocyclohexyl)methyl 2-chloroacetate Traditional Name: 2-chloroacetic acid (4-butyryl-3,5-diketo-cyclohexyl)methyl ester Formula: C13H17ClO5 MolecularWeight: 288.72408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(CC1=O)COC(=O)CCl

Isomeric SMILES

CCCC(=O)C1C(=O)CC(CC1=O)COC(=O)CCl

InChI

InChI=1S/C13H17ClO5/c1-2-3-9(15)13-10(16)4-8(5-11(13)17)7-19-12(18)6-14/h8,13H,2-7H2,1H3