methyl (2E)-2-(3-phenylprop-2-ynylidene)hexanoate

Systemtic Name: methyl (2E)-2-(3-phenylprop-2-ynylidene)hexanoate Openeye Name: methyl (2E)-2-(3-phenylprop-2-ynylidene)hexanoate CAS Name: (2E)-2-(3-phenylprop-2-ynylidene)hexanoic acid methyl ester IUPAC Name: methyl (2E)-2-(3-phenylprop-2-ynylidene)hexanoate Traditional Name: (E)-2-butyl-5-phenyl-pent-2-en-4-ynoic acid methyl ester Formula: C16H18O2 MolecularWeight: 242.31292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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