[(E)-pent-2-en-4-ynyl] 4-butylbenzoate

Systemtic Name: [(E)-pent-2-en-4-ynyl] 4-butylbenzoate Openeye Name: [(E)-pent-2-en-4-ynyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [(E)-pent-2-en-4-ynyl] ester IUPAC Name: [(E)-pent-2-en-4-ynyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [(E)-pent-2-en-4-ynyl] ester Formula: C16H18O2 MolecularWeight: 242.31292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCC=CC#C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC/C=C/C#C

InChI

InChI=1S/C16H18O2/c1-3-5-7-13-18-16(17)15-11-9-14(10-12-15)8-6-4-2/h1,5,7,9-12H,4,6,8,13H2,2H3/b7-5+