3-[[(1R,2S)-2-ethylcyclohexyl]oxymethyl]benzoate

Systemtic Name: 3-[[(1R,2S)-2-ethylcyclohexyl]oxymethyl]benzoate Openeye Name: 3-[[(1R,2S)-2-ethylcyclohexoxy]methyl]benzoate CAS Name: 3-[[(1R,2S)-2-ethylcyclohexyl]oxymethyl]benzoate IUPAC Name: 3-[[(1R,2S)-2-ethylcyclohexyl]oxymethyl]benzoate Traditional Name: 3-[[(1R,2S)-2-ethylcyclohexoxy]methyl]benzoate Formula: C16H21O3- MolecularWeight: 261.33614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCC1OCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC[C@H]1CCCC[C@H]1OCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H22O3/c1-2-13-7-3-4-9-15(13)19-11-12-6-5-8-14(10-12)16(17)18/h5-6,8,10,13,15H,2-4,7,9,11H2,1H3,(H,17,18)/p-1/t13-,15+/m0/s1