2,2-dimethyl-8-(4-methylphenyl)sulfonylsulfanyl-oct-4-yn-3-one

Systemtic Name: 2,2-dimethyl-8-(4-methylphenyl)sulfonylsulfanyl-oct-4-yn-3-one Openeye Name: 2,2-dimethyl-8-(p-tolylsulfonylsulfanyl)oct-4-yn-3-one CAS Name: 2,2-dimethyl-8-[(4-methylphenyl)sulfonylthio]-4-octyn-3-one IUPAC Name: 2,2-dimethyl-8-(4-methylphenyl)sulfonylsulfanyloct-4-yn-3-one Traditional Name: 2,2-dimethyl-8-(tosylthio)oct-4-yn-3-one Formula: C17H22O3S2 MolecularWeight: 338.48478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SCCCC#CC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SCCCC#CC(=O)C(C)(C)C

InChI

InChI=1S/C17H22O3S2/c1-14-9-11-15(12-10-14)22(19,20)21-13-7-5-6-8-16(18)17(2,3)4/h9-12H,5,7,13H2,1-4H3