(4,4-dimethyl-2-oxidanylidene-1-phenylsulfanyl-pentyl) ethanoate

Systemtic Name: (4,4-dimethyl-2-oxidanylidene-1-phenylsulfanyl-pentyl) ethanoate Openeye Name: (4,4-dimethyl-2-oxo-1-phenylsulfanyl-pentyl) acetate CAS Name: acetic acid [4,4-dimethyl-2-oxo-1-(phenylthio)pentyl] ester IUPAC Name: (4,4-dimethyl-2-oxo-1-phenylsulfanylpentyl) acetate Traditional Name: acetic acid [2-keto-4,4-dimethyl-1-(phenylthio)pentyl] ester Formula: C15H20O3S MolecularWeight: 280.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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