(Z)-1,1,1-tris(fluoranyl)-7,7-dimethyl-3-phenylsulfanyl-oct-3-en-5-yn-2-one

Systemtic Name: (Z)-1,1,1-tris(fluoranyl)-7,7-dimethyl-3-phenylsulfanyl-oct-3-en-5-yn-2-one Openeye Name: (Z)-1,1,1-trifluoro-7,7-dimethyl-3-phenylsulfanyl-oct-3-en-5-yn-2-one CAS Name: (Z)-1,1,1-trifluoro-7,7-dimethyl-3-(phenylthio)-2-oct-3-en-5-ynone IUPAC Name: (Z)-1,1,1-trifluoro-7,7-dimethyl-3-phenylsulfanyloct-3-en-5-yn-2-one Traditional Name: (Z)-1,1,1-trifluoro-7,7-dimethyl-3-(phenylthio)oct-3-en-5-yn-2-one Formula: C16H15F3OS MolecularWeight: 312.34991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=C(C(=O)C(F)(F)F)SC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C#C/C=C(/C(=O)C(F)(F)F)\SC1=CC=CC=C1

InChI

InChI=1S/C16H15F3OS/c1-15(2,3)11-7-10-13(14(20)16(17,18)19)21-12-8-5-4-6-9-12/h4-6,8-10H,1-3H3/b13-10-