[(3S)-4-methylpent-1-yn-3-yl] benzoate

Systemtic Name: [(3S)-4-methylpent-1-yn-3-yl] benzoate Openeye Name: [(1S)-1-isopropylprop-2-ynyl] benzoate CAS Name: benzoic acid [(3S)-4-methylpent-1-yn-3-yl] ester IUPAC Name: [(3S)-4-methylpent-1-yn-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-isopropylprop-2-ynyl] ester Formula: C13H14O2 MolecularWeight: 202.24906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O2/c1-4-12(10(2)3)15-13(14)11-8-6-5-7-9-11/h1,5-10,12H,2-3H3/t12-/m1/s1