(2S)-2-(4-methylpentoxy)-2-phenyl-ethanoate

Systemtic Name: (2S)-2-(4-methylpentoxy)-2-phenyl-ethanoate Openeye Name: (2S)-2-isohexyloxy-2-phenyl-acetate CAS Name: (2S)-2-(4-methylpentoxy)-2-phenylacetate IUPAC Name: (2S)-2-(4-methylpentoxy)-2-phenylacetate Traditional Name: (2S)-2-isohexyloxy-2-phenyl-acetate Formula: C14H19O3- MolecularWeight: 235.29886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(C1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H20O3/c1-11(2)7-6-10-17-13(14(15)16)12-8-4-3-5-9-12/h3-5,8-9,11,13H,6-7,10H2,1-2H3,(H,15,16)/p-1/t13-/m0/s1