(E)-5-methyl-2-(2-phenylethynyl)hex-2-enoic acid

Systemtic Name: (E)-5-methyl-2-(2-phenylethynyl)hex-2-enoic acid Openeye Name: (E)-5-methyl-2-(2-phenylethynyl)hex-2-enoic acid CAS Name: (E)-5-methyl-2-(2-phenylethynyl)-2-hexenoic acid IUPAC Name: (E)-5-methyl-2-(2-phenylethynyl)hex-2-enoic acid Traditional Name: (E)-5-methyl-2-(2-phenylethynyl)hex-2-enoic acid Formula: C15H16O2 MolecularWeight: 228.28634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C/C=C(\C#CC1=CC=CC=C1)/C(=O)O

InChI

InChI=1S/C15H16O2/c1-12(2)8-10-14(15(16)17)11-9-13-6-4-3-5-7-13/h3-7,10,12H,8H2,1-2H3,(H,16,17)/b14-10+