methyl 5-butanoyl-2-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-butanoyl-2-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl 5-butanoyl-2-hydroxy-cyclohexanecarboxylate CAS Name: 2-hydroxy-5-(1-oxobutyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-butanoyl-2-hydroxycyclohexane-1-carboxylate Traditional Name: 5-butyryl-2-hydroxy-cyclohexanecarboxylic acid methyl ester Formula: C12H20O4 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1CCC(C(C1)C(=O)OC)O

Isomeric SMILES

CCCC(=O)C1CCC(C(C1)C(=O)OC)O

InChI

InChI=1S/C12H20O4/c1-3-4-10(13)8-5-6-11(14)9(7-8)12(15)16-2/h8-9,11,14H,3-7H2,1-2H3