5-chloranyl-2-methyl-6-(phenylsulfonyl)hex-3-yn-2-ol

Systemtic Name: 5-chloranyl-2-methyl-6-(phenylsulfonyl)hex-3-yn-2-ol Openeye Name: 6-(benzenesulfonyl)-5-chloro-2-methyl-hex-3-yn-2-ol CAS Name: 6-(benzenesulfonyl)-5-chloro-2-methyl-3-hexyn-2-ol IUPAC Name: 6-(benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol Traditional Name: 6-besyl-5-chloro-2-methyl-hex-3-yn-2-ol Formula: C13H15ClO3S MolecularWeight: 286.7744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClO3S/c1-13(2,15)9-8-11(14)10-18(16,17)12-6-4-3-5-7-12/h3-7,11,15H,10H2,1-2H3