6,6-dimethyl-1-thiophen-2-yl-hepta-1,4-diyn-3-ol

Systemtic Name: 6,6-dimethyl-1-thiophen-2-yl-hepta-1,4-diyn-3-ol Openeye Name: 6,6-dimethyl-1-(2-thienyl)hepta-1,4-diyn-3-ol CAS Name: 6,6-dimethyl-1-thiophen-2-yl-3-hepta-1,4-diynol IUPAC Name: 6,6-dimethyl-1-thiophen-2-ylhepta-1,4-diyn-3-ol Traditional Name: 6,6-dimethyl-1-(2-thienyl)hepta-1,4-diyn-3-ol Formula: C13H14OS MolecularWeight: 218.31466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC(C#CC1=CC=CS1)O

Isomeric SMILES

CC(C)(C)C#CC(C#CC1=CC=CS1)O

InChI

InChI=1S/C13H14OS/c1-13(2,3)9-8-11(14)6-7-12-5-4-10-15-12/h4-5,10-11,14H,1-3H3