(4,4-dimethyl-2-oxidanylidene-3-phenylsulfanyl-pentyl) ethanoate

Systemtic Name: (4,4-dimethyl-2-oxidanylidene-3-phenylsulfanyl-pentyl) ethanoate Openeye Name: (4,4-dimethyl-2-oxo-3-phenylsulfanyl-pentyl) acetate CAS Name: acetic acid [4,4-dimethyl-2-oxo-3-(phenylthio)pentyl] ester IUPAC Name: (4,4-dimethyl-2-oxo-3-phenylsulfanylpentyl) acetate Traditional Name: acetic acid [2-keto-4,4-dimethyl-3-(phenylthio)pentyl] ester Formula: C15H20O3S MolecularWeight: 280.3825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O3S/c1-11(16)18-10-13(17)14(15(2,3)4)19-12-8-6-5-7-9-12/h5-9,14H,10H2,1-4H3