7,7,7-tris(fluoranyl)-2,2-dimethyl-5-(phenylmethylsulfanyl)heptan-3-one

Systemtic Name: 7,7,7-tris(fluoranyl)-2,2-dimethyl-5-(phenylmethylsulfanyl)heptan-3-one Openeye Name: 5-benzylsulfanyl-7,7,7-trifluoro-2,2-dimethyl-heptan-3-one CAS Name: 7,7,7-trifluoro-2,2-dimethyl-5-(phenylmethylthio)-3-heptanone IUPAC Name: 5-benzylsulfanyl-7,7,7-trifluoro-2,2-dimethylheptan-3-one Traditional Name: 5-(benzylthio)-7,7,7-trifluoro-2,2-dimethyl-heptan-3-one Formula: C16H21F3OS MolecularWeight: 318.39755

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(CC(F)(F)F)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)CC(CC(F)(F)F)SCC1=CC=CC=C1

InChI

InChI=1S/C16H21F3OS/c1-15(2,3)14(20)9-13(10-16(17,18)19)21-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3