methyl (1S,2R)-2-(2-oxidanylidenehexyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R)-2-(2-oxidanylidenehexyl)cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R)-2-(2-oxohexyl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-(2-oxohexyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-2-(2-oxohexyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(2-ketohexyl)cyclohexanecarboxylic acid methyl ester Formula: C14H24O3 MolecularWeight: 240.33856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC1CCCCC1C(=O)OC

Isomeric SMILES

CCCCC(=O)C[C@H]1CCCC[C@@H]1C(=O)OC

InChI

InChI=1S/C14H24O3/c1-3-4-8-12(15)10-11-7-5-6-9-13(11)14(16)17-2/h11,13H,3-10H2,1-2H3/t11-,13+/m1/s1