3-[[(2S)-octan-2-yl]oxymethyl]benzoate

Systemtic Name: 3-[[(2S)-octan-2-yl]oxymethyl]benzoate Openeye Name: 3-[[(1S)-1-methylheptoxy]methyl]benzoate CAS Name: 3-[[(2S)-octan-2-yl]oxymethyl]benzoate IUPAC Name: 3-[[(2S)-octan-2-yl]oxymethyl]benzoate Traditional Name: 3-[[(1S)-1-methylheptoxy]methyl]benzoate Formula: C16H23O3- MolecularWeight: 263.35202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

CCCCCC[C@H](C)OCC1=CC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C16H24O3/c1-3-4-5-6-8-13(2)19-12-14-9-7-10-15(11-14)16(17)18/h7,9-11,13H,3-6,8,12H2,1-2H3,(H,17,18)/p-1/t13-/m0/s1