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

Systemtic Name: [(E)-pent-2-en-4-ynyl] 4-methylbenzoate Openeye Name: [(E)-pent-2-en-4-ynyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(E)-pent-2-en-4-ynyl] ester IUPAC Name: [(E)-pent-2-en-4-ynyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(E)-pent-2-en-4-ynyl] ester Formula: C13H12O2 MolecularWeight: 200.23318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O2/c1-3-4-5-10-15-13(14)12-8-6-11(2)7-9-12/h1,4-9H,10H2,2H3/b5-4+