(3,3-dimethyl-2-phenylsulfanyl-butyl) ethanoate

Systemtic Name: (3,3-dimethyl-2-phenylsulfanyl-butyl) ethanoate Openeye Name: (3,3-dimethyl-2-phenylsulfanyl-butyl) acetate CAS Name: acetic acid [3,3-dimethyl-2-(phenylthio)butyl] ester IUPAC Name: (3,3-dimethyl-2-phenylsulfanylbutyl) acetate Traditional Name: acetic acid [3,3-dimethyl-2-(phenylthio)butyl] ester Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C)(C)C)SC1=CC=CC=C1

Isomeric SMILES

CC(=O)OCC(C(C)(C)C)SC1=CC=CC=C1

InChI

InChI=1S/C14H20O2S/c1-11(15)16-10-13(14(2,3)4)17-12-8-6-5-7-9-12/h5-9,13H,10H2,1-4H3