3,4,4-trimethyl-1-(4-methylsulfanylphenyl)pent-1-yn-3-ol

Systemtic Name: 3,4,4-trimethyl-1-(4-methylsulfanylphenyl)pent-1-yn-3-ol Openeye Name: 3,4,4-trimethyl-1-(4-methylsulfanylphenyl)pent-1-yn-3-ol CAS Name: 3,4,4-trimethyl-1-[4-(methylthio)phenyl]-1-pentyn-3-ol IUPAC Name: 3,4,4-trimethyl-1-(4-methylsulfanylphenyl)pent-1-yn-3-ol Traditional Name: 3,4,4-trimethyl-1-[4-(methylthio)phenyl]pent-1-yn-3-ol Formula: C15H20OS MolecularWeight: 248.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C)(C#CC1=CC=C(C=C1)SC)O

Isomeric SMILES

CC(C)(C)C(C)(C#CC1=CC=C(C=C1)SC)O

InChI

InChI=1S/C15H20OS/c1-14(2,3)15(4,16)11-10-12-6-8-13(17-5)9-7-12/h6-9,16H,1-5H3