3-butanoyloxy-4-methyl-5-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: 3-butanoyloxy-4-methyl-5-oxidanyl-cyclohexane-1-carboxylate Openeye Name: 3-butanoyloxy-5-hydroxy-4-methyl-cyclohexanecarboxylate CAS Name: 3-hydroxy-4-methyl-5-(1-oxobutoxy)-1-cyclohexanecarboxylate IUPAC Name: 3-butanoyloxy-5-hydroxy-4-methylcyclohexane-1-carboxylate Traditional Name: 3-butyryloxy-5-hydroxy-4-methyl-cyclohexanecarboxylate Formula: C12H19O5- MolecularWeight: 243.27626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CC(CC(C1C)O)C(=O)[O-]

Isomeric SMILES

CCCC(=O)OC1CC(CC(C1C)O)C(=O)[O-]

InChI

InChI=1S/C12H20O5/c1-3-4-11(14)17-10-6-8(12(15)16)5-9(13)7(10)2/h7-10,13H,3-6H2,1-2H3,(H,15,16)/p-1