methyl (E)-2-(2-phenylethynyl)hept-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O2/c1-3-4-6-11-15(16(17)18-2)13-12-14-9-7-5-8-10-14/h5,7-11H,3-4,6H2,1-2H3/b15-11+