methyl (E)-5-methyl-2-(2-phenylethynyl)hex-2-enoate

Systemtic Name: methyl (E)-5-methyl-2-(2-phenylethynyl)hex-2-enoate Openeye Name: methyl (E)-5-methyl-2-(2-phenylethynyl)hex-2-enoate CAS Name: (E)-5-methyl-2-(2-phenylethynyl)-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-5-methyl-2-(2-phenylethynyl)hex-2-enoate Traditional Name: (E)-5-methyl-2-(2-phenylethynyl)hex-2-enoic acid methyl ester Formula: C16H18O2 MolecularWeight: 242.31292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O2/c1-13(2)9-11-15(16(17)18-3)12-10-14-7-5-4-6-8-14/h4-8,11,13H,9H2,1-3H3/b15-11+