[(4S)-dec-5-yn-4-yl] benzoate

Systemtic Name: [(4S)-dec-5-yn-4-yl] benzoate Openeye Name: [(1S)-1-propylhept-2-ynyl] benzoate CAS Name: benzoic acid [(4S)-dec-5-yn-4-yl] ester IUPAC Name: [(4S)-dec-5-yn-4-yl] benzoate Traditional Name: benzoic acid [(1S)-1-propylhept-2-ynyl] ester Formula: C17H22O2 MolecularWeight: 258.35538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC#C[C@H](CCC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H22O2/c1-3-5-6-10-14-16(11-4-2)19-17(18)15-12-8-7-9-13-15/h7-9,12-13,16H,3-6,11H2,1-2H3/t16-/m0/s1