[(2S)-1-[(4S,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl] benzoate

Systemtic Name: [(2S)-1-[(4S,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl] benzoate Openeye Name: [(1S)-2-[(4S,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methyl-ethyl] benzoate CAS Name: benzoic acid [(2S)-1-[(4S,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl] ester IUPAC Name: [(2S)-1-[(4S,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-2-[(4S,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methyl-ethyl] ester Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1C(OC(O1)(C)C)C#C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C[C@H]1[C@@H](OC(O1)(C)C)C#C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20O4/c1-5-14-15(21-17(3,4)20-14)11-12(2)19-16(18)13-9-7-6-8-10-13/h1,6-10,12,14-15H,11H2,2-4H3/t12-,14-,15-/m0/s1