oct-1-yn-4-yl benzoate

Systemtic Name: oct-1-yn-4-yl benzoate Openeye Name: 1-prop-2-ynylpentyl benzoate CAS Name: benzoic acid oct-1-yn-4-yl ester IUPAC Name: oct-1-yn-4-yl benzoate Traditional Name: benzoic acid 1-butylbut-3-ynyl ester Formula: C15H18O2 MolecularWeight: 230.30222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O2/c1-3-5-12-14(9-4-2)17-15(16)13-10-7-6-8-11-13/h2,6-8,10-11,14H,3,5,9,12H2,1H3