4-methyl-1-phenyl-1-thiophen-2-yl-pent-2-yne-1,4-diol

Systemtic Name: 4-methyl-1-phenyl-1-thiophen-2-yl-pent-2-yne-1,4-diol Openeye Name: 4-methyl-1-phenyl-1-(2-thienyl)pent-2-yne-1,4-diol CAS Name: 4-methyl-1-phenyl-1-thiophen-2-yl-2-pentyne-1,4-diol IUPAC Name: 4-methyl-1-phenyl-1-thiophen-2-ylpent-2-yne-1,4-diol Traditional Name: 4-methyl-1-phenyl-1-(2-thienyl)pent-2-yne-1,4-diol Formula: C16H16O2S MolecularWeight: 272.36204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC(C1=CC=CC=C1)(C2=CC=CS2)O)O

Isomeric SMILES

CC(C)(C#CC(C1=CC=CC=C1)(C2=CC=CS2)O)O

InChI

InChI=1S/C16H16O2S/c1-15(2,17)10-11-16(18,14-9-6-12-19-14)13-7-4-3-5-8-13/h3-9,12,17-18H,1-2H3