[(3S)-2,6-dimethyl-6-oxidanyl-hept-4-yn-3-yl] benzoate

Systemtic Name: [(3S)-2,6-dimethyl-6-oxidanyl-hept-4-yn-3-yl] benzoate Openeye Name: [(1S)-4-hydroxy-1-isopropyl-4-methyl-pent-2-ynyl] benzoate CAS Name: benzoic acid [(3S)-6-hydroxy-2,6-dimethylhept-4-yn-3-yl] ester IUPAC Name: [(3S)-6-hydroxy-2,6-dimethylhept-4-yn-3-yl] benzoate Traditional Name: benzoic acid [(1S)-4-hydroxy-1-isopropyl-4-methyl-pent-2-ynyl] ester Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O3/c1-12(2)14(10-11-16(3,4)18)19-15(17)13-8-6-5-7-9-13/h5-9,12,14,18H,1-4H3/t14-/m1/s1