[1,1,1-tris(chloranyl)-4-phenyl-but-3-yn-2-yl] methanesulfonate

Systemtic Name: [1,1,1-tris(chloranyl)-4-phenyl-but-3-yn-2-yl] methanesulfonate Openeye Name: [3-phenyl-1-(trichloromethyl)prop-2-ynyl] methanesulfonate CAS Name: methanesulfonic acid (1,1,1-trichloro-4-phenylbut-3-yn-2-yl) ester IUPAC Name: (1,1,1-trichloro-4-phenylbut-3-yn-2-yl) methanesulfonate Traditional Name: methanesulfonic acid [3-phenyl-1-(trichloromethyl)prop-2-ynyl] ester Formula: C11H9Cl3O3S MolecularWeight: 327.61136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(C#CC1=CC=CC=C1)C(Cl)(Cl)Cl

Isomeric SMILES

CS(=O)(=O)OC(C#CC1=CC=CC=C1)C(Cl)(Cl)Cl

InChI

InChI=1S/C11H9Cl3O3S/c1-18(15,16)17-10(11(12,13)14)8-7-9-5-3-2-4-6-9/h2-6,10H,1H3