hept-3-ynyl benzoate

Systemtic Name: hept-3-ynyl benzoate Openeye Name: hept-3-ynyl benzoate CAS Name: benzoic acid hept-3-ynyl ester IUPAC Name: hept-3-ynyl benzoate Traditional Name: benzoic acid hept-3-ynyl ester Formula: C14H16O2 MolecularWeight: 216.27564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCC#CCCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H16O2/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-3,9,12H2,1H3